trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene

CAS
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CAS
93939-85-6
Size
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Purity
96%
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Catalog Number

ACM93939856

Product Name

trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene

Structure

Structure

CAS

93939-85-6

Category

Heterocyclic Organic Compound

Synonyms

EINECS 300-375-3, trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene, 93939-85-6

IUPAC Name

(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,3,5,6,8-hexahydronaphthalene

Molecular Weight

204.351060 [g/mol]

Molecular Formula

C₁₅H₂₄

Canonical SMILES

CC1CCC=C2C1(CC(=C(C)C)CC2)C

InChI Key

USADAYYQBBHRCI-DOMZBBRYSA-N

EC Number

300-375-3

Exact Mass

204.18800

H-Bond Acceptor

0

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The molecular formula is C15H24.

When was PubChem CID 21117834 created and last modified?

It was created on December 5, 2007, and last modified on December 30, 2023.

What is the IUPAC name of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The IUPAC name is (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,3,5,6,8-hexahydronaphthalene.

What is the InChIKey of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The InChIKey is USADAYYQBBHRCI-DOMZBBRYSA-N.

How many hydrogen bond donor counts does trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene have?

It has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The XLogP3-AA value is 4.5.

What is the exact mass of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The exact mass is 204.187800766 g/mol.

How many defined atom stereocenter counts does trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene have?

It has 2 defined atom stereocenter counts.

What is the topological polar surface area of trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene?

The topological polar surface area is 0-2.

Is trans-1,2,3,5,6,7,8,8a-Octahydro-1a,8a-dimethyl-7-(1-methylethylidene)naphthalene a canonicalized compound?

Yes, it is a canonicalized compound.

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