2,4-DIMETHYL-1-HEPTANOL, (2S,4R)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H20O
Molecular Weight	144.2545
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-DIMETHYL-1-HEPTANOL, (2S,4R)-

Structure Search

SMILES

CCC[C@@H](C)C[C@H](C)CO

InChI

InChIKey=HVRFWRROUIDGQO-BDAKNGLRSA-N

InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H20O
Molecular Weight	144.2545
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:31:03 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:03 GMT 2023`
Record UNII	7MR5ZA47X6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-DIMETHYL-1-HEPTANOL, (2S,4R)-

Systematic Name

English

1-HEPTANOL, 2,4-DIMETHYL-, (2S,4R)-

Systematic Name

English

(2S,4R)-2,4-DIMETHYL-1-HEPTANOL

Systematic Name

English

1-HEPTANOL, 2,4-DIMETHYL-(2S,4R)-(+)-

Systematic Name

English

2,4-DIMETHYLHEPTAN-1-OL, (2S,4R)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

242-336-2

Created by admin on Sat Dec 16 12:31:03 GMT 2023 , Edited by admin on Sat Dec 16 12:31:03 GMT 2023

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FDA UNII

7MR5ZA47X6

Created by admin on Sat Dec 16 12:31:03 GMT 2023 , Edited by admin on Sat Dec 16 12:31:03 GMT 2023

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PUBCHEM

87651

Created by admin on Sat Dec 16 12:31:03 GMT 2023 , Edited by admin on Sat Dec 16 12:31:03 GMT 2023

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CAS

18450-74-3

Created by admin on Sat Dec 16 12:31:03 GMT 2023 , Edited by admin on Sat Dec 16 12:31:03 GMT 2023

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EPA CompTox

DTXSID00171582

Created by admin on Sat Dec 16 12:31:03 GMT 2023 , Edited by admin on Sat Dec 16 12:31:03 GMT 2023

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