2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one

CAS
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CAS
94291-46-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94291460

Product Name

2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one

Structure

Structure

CAS

94291-46-0

Category

Heterocyclic Organic Compound

Synonyms

EINECS 304-870-5, CID3024271, 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one, 94291-46-0

IUPAC Name

2,7-dimethyl-4-propan-2-yl-2,3,4,5,6,7-hexahydroinden-1-one

Molecular Weight

206.323880 [g/mol]

Molecular Formula

C₁₄H₂₂O

Canonical SMILES

CC1CCC(C2=C1C(=O)C(C2)C)C(C)C

InChI Key

LLSSPTISLIDNTK-UHFFFAOYSA-N

Boiling Point

303.8ºC at 760mmHg

Flash Point

133.7ºC

Density

0.96g/cm³

EC Number

304-870-5

Exact Mass

206.16700

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The molecular formula is C14H22O.

What is the molecular weight of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The molecular weight is 206.32 g/mol.

When was PubChem CID 3024271 created?

It was created on 2005-08-08.

What is the IUPAC name of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The IUPAC name is 2,7-dimethyl-4-propan-2-yl-2,3,4,5,6,7-hexahydroinden-1-one.

What is the Canonical SMILES of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The Canonical SMILES is CC1CCC(C2=C1C(=O)C(C2)C)C(C)C.

What is the InChIKey of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The InChIKey is LLSSPTISLIDNTK-UHFFFAOYSA-N.

How many hydrogen bond donor count does 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one have?

It has 0 hydrogen bond donor count.

What is the topological polar surface area of 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

The topological polar surface area is 17.1 Å².

How many heavy atoms are present in 2,3,4,5,6,7-Hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one?

There are 15 heavy atoms.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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