1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol

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CAS
93804-62-7
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Purity
96%
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Catalog Number

ACM93804627

Product Name

1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol

Structure

Structure

CAS

93804-62-7

Category

Heterocyclic Organic Compound

Synonyms

1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol, 93804-62-7, AC1MID7J, CTK5H3233, EINECS 298-439-8, AG-H-83640, (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methanol

IUPAC Name

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

Molecular Weight

194.313180 [g/mol]

Molecular Formula

C₁₃H₂₂O

Canonical SMILES

CC1(CCCC2=C1CC(CC2)CO)C

InChI Key

TXYYNNGNKSJORA-UHFFFAOYSA-N

Boiling Point

283.9ºC at 760 mmHg

Flash Point

110.1ºC

Density

0.98g/cm³

EC Number

298-439-8

Exact Mass

194.16700

H-Bond Acceptor

1

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The molecular formula is C13H22O.

What is the molecular weight of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The molecular weight is 194.31 g/mol.

When was 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol created and modified in PubChem?

It was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC name of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

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

What is the InChI of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The InChI is InChI=1S/C13H22O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h10,14H,3-9H2,1-2H3.

What is the InChIKey of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The InChIKey is TXYYNNGNKSJORA-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The Canonical SMILES is CC1(CCCC2=C1CC(CC2)CO).

What is the XLogP3-AA of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol?

The XLogP3-AA is 2.7.

How many hydrogen bond donor counts does 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-methanol have?

It has 1 hydrogen bond donor count.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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