3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran

CAS

93942-49-5

Catalog Number

ACM93942495

Category

Other Products

Molecular Weight

166.260020 [g/mol]

Molecular Formula

C₁₁H₁₈O

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 300-602-6, 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran, 93942-49-5

IUPAC Name

4,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene

Canonical SMILES

CC1CCC2=C(CCOC2C1)C

InChI Key

GXAYAOBBVDEENR-UHFFFAOYSA-N

Boiling Point

237ºC at 760mmHg

Flash Point

93ºC

Density

0.95g/cm³

EC Number

300-602-6

Exact Mass

166.13600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

The molecular formula is C11H18O.

When was 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran created in PubChem?

It was created on 2007-07-11.

What is the IUPAC Name of 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

The IUPAC Name is 4,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene.

What is the InChIKey of 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

The InChIKey is GXAYAOBBVDEENR-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

There is 1 hydrogen bond acceptor count.

What is the topological polar surface area of 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

The topological polar surface area is 9.2 Å2.

Is 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran a canonicalized compound in PubChem?

Yes, it is a canonicalized compound.

How many heavy atoms are there in 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

There are 12 heavy atoms.

What is the molecular weight of 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran?

The molecular weight is 166.26 g/mol.

When was 3,5,6,7,8,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran last modified in PubChem?

It was last modified on 2023-12-30.

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