Octahydro-5,5-dimethylnaphthalene-1-methyl acetate

CAS
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CAS
93919-51-8
Size
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Purity
96%
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Catalog Number

ACM93919518

Product Name

Octahydro-5,5-dimethylnaphthalene-1-methyl acetate

CAS

93919-51-8

Category

Heterocyclic Organic Compound

Synonyms

AC1MIE04, Octahydro-5,5-dimethylnaphthalene-1-methyl acetate, EINECS 300-034-9, (5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate, 93919-51-8

IUPAC Name

(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate

Molecular Weight

236.349860 [g/mol]

Molecular Formula

C₁₅H₂₄O₂

Canonical SMILES

CC(=O)OCC1CCCC2=C1CCCC2(C)C

InChI Key

SPHWOTDTYVMNCC-UHFFFAOYSA-N

Boiling Point

307.5ºC at 760 mmHg

Flash Point

106.8ºC

Density

1g/cm³

EC Number

300-034-9

Exact Mass

236.17800

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The molecular formula is C15H24O2.

When was Octahydro-5,5-dimethylnaphthalene-1-methyl acetate created in PubChem?

It was created on 2005-08-08.

What is the IUPAC name of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The IUPAC name is (5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate.

What is the InChIKey of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The InChIKey is SPHWOTDTYVMNCC-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

There are 2 hydrogen bond acceptor counts.

What is the topological polar surface area of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The topological polar surface area is 26.3 Å².

Is Octahydro-5,5-dimethylnaphthalene-1-methyl acetate considered to be canonicalized?

Yes, it is considered canonicalized.

What is the XLogP3-AA value of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The XLogP3-AA value is 3.3.

What is the exact mass of Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

The exact mass is 236.177630004 g/mol.

How many rotatable bonds are there in Octahydro-5,5-dimethylnaphthalene-1-methyl acetate?

There are 3 rotatable bonds.

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