1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane

Name: 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane
SKU: ACM96082
Rating: 5 (1 reviews)

CAS

96-08-2

Catalog Number

ACM96082

Category

Other Products

Molecular Weight

168.23

Molecular Formula

C₁₀H₁₆O₂

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Specification

Synonyms

1-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANE;1-METHYL-4-(1-METHYLEPOXYETHYL)-7-OXABICYCLO[4.1.0]HEPTANE;CAJEPUTENE DIOXIDE;LIMONENE DIOXIDE;CINENE DIOXIDE;Dipentene dioxide;P-MENTHA-1,8-DIENE DIOXIDE;1,2,8,9-Diepoxylimonene

What is the molecular formula of 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane?

The molecular formula is C10H16O2.

What are some synonyms for 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane?

Some synonyms include Limonene dioxide, Dipentene dioxide, and Limonene diepoxide.

When was the compound first created and when was it last modified?

The compound was first created on 2005-03-26 and last modified on 2023-12-30.

What is the InChIKey for 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane?

The InChIKey is RBHIUNHSNSQJNG-UHFFFAOYSA-N.

What is the Canonical SMILES for this compound?

The Canonical SMILES is CC12CCC(CC1O2)C3(CO3)C.

How many hydrogen bond donor counts does 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane have?

It has zero hydrogen bond donor counts.

What is the topological polar surface area of this compound?

The topological polar surface area is 25.1 Å².

How many rotatable bond counts does 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane have?

It has one rotatable bond count.

What is the molecular weight of 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane?

The molecular weight is 168.23 g/mol.

What is the XLogP3-AA value for this compound?

The XLogP3-AA value is 1.1.

Upstream Synthesis Route 1

5989-27-5

96-08-2
6909-30-4
4680-24-4

Reference: [1]Fringuelli, Francesco; Germani, Raimondo; Pizzo, Ferdinando; Savelli, Gianfranco
[Tetrahedron Letters, 1989, vol. 30, # 11, p. 1427 - 1428]
[2]Fringuelli, Francesco; Germani, Raimondo; Pizzo, Ferdinando; Savelli, Gianfranco
[Tetrahedron Letters, 1989, vol. 30, # 11, p. 1427 - 1428]
[3]Asouti; Hadjiarapoglou
[Synlett, 2001, # 12, p. 1847 - 1850]
[4]Location in patent: scheme or table
Cubillos, Jairo; Vásquez, Santiago; Montes de Correa, Consuelo
[Applied Catalysis A: General, 2010, vol. 373, # 1-2, p. 57 - 65]

Upstream Synthesis Route 2

5989-54-8

96-08-2

Reference: [1]Mori, Kenji; Kato, Minoru
[Tetrahedron, 1986, vol. 42, # 21, p. 5895 - 5900]

Upstream Synthesis Route 3

138-86-3

96-08-2
1195-92-2

Reference: [1]Amarante, Tatiana R.; Neves, Patricia; Valente, Anabela A.; Almeida Paz, Filipe A.; Fitch, Andrew N.; Pillinger, Martyn; Goncalves, Isabel S.
[Inorganic Chemistry, 2013, vol. 52, # 8, p. 4618 - 4628]

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