(S) - (+) -4-Methyl-1-hexanol

CAT: 0127-OR937932-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR937932-01Size:250 mg

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CAS Number

1767-46-0

MDL Number

MFCD00221492

Purity

95%

Smiles

CC[C@H](C)CCCO

Chemical Information

(4S)-4-Methylhexan-1-ol

4-Methylhexan-1-ol is an aliphatic alcohol.

CAS Number	1767-46-0
PubChem CID	13463446
IUPAC Name	(4S)-4-methylhexan-1-ol
Molecular Formula	C7H16O
Molecular Weight	116.20
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	43

SMILES

CC[C@H](C)CCCO

InChI

InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1

InChIKey

YNPVNLWKVZZBTM-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1767-46-0

CID: 13463446

Formula: C7H16O

MW: 116.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	116.120115130
Monoisotopic Mass	116.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	43.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR1023671-01	2-Methyl-3-Hexanol
BUP19339	1-Hexanol
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