3,3-DIMETHYL-2-BUTANOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H14O
Molecular Weight	102.1748
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)C(C)(C)C

InChI

InChIKey=DFOXKPDFWGNLJU-UHFFFAOYSA-N

InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C6H14O
Molecular Weight	102.1748
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.	2001 Feb	11266619
Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.	2002 Jun	12021445
A novel gaseous pinacolyl alcohol sensor utilizing cataluminescence on alumina nanowires prepared by supercritical fluid drying.	2008 Jun 23	18513541

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:45 GMT 2023` Edited by `admin` on `Sat Dec 16 08:55:45 GMT 2023`
Record UNII	5BV6T1107J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3-DIMETHYL-2-BUTANOL

Systematic Name

English

3,3-DIMETHYL-2-BUTANOL, (±)-

Systematic Name

English

3,3-DIMETHYLBUTAN-2-OL

Systematic Name

English

PINACOLYL ALCOHOL, (±)-

Systematic Name

English

1,2,2-TRIMETHYL-1-PROPANOL

Systematic Name

English

2-BUTANOL, 3,3-DIMETHYL-

Systematic Name

English

NSC-939

Code

English

1-METHYL-2,2-DIMETHYLPROPANOL

Systematic Name

English

PINACOLYL ALCOHOL

Systematic Name

English

3,3-DIMETHYL-2-BUTANOL [HSDB]

Common Name

English

2,2-DIMETHYL-3-BUTANOL

Systematic Name

English

DL-3,3-DIMETHYLBUTAN-2-OL

Common Name

English

TERT-BUTYL METHYL CARBINOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

10045