CAS 818-49-5 | 4-METHYL-1-HEXANOL | CAS Number 818-49-5

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818-49-5 | 4-METHYL-1-HEXANOL

CAS No: 818-49-5 Catalog No: AG005HTK MDL No:MFCD02258696

Product Description

Catalog Number:

AG005HTK

Chemical Name:

4-METHYL-1-HEXANOL

CAS Number:

818-49-5

Molecular Formula:

C7H16O

Molecular Weight:

116.2013

MDL Number:

MFCD02258696

IUPAC Name:

4-methylhexan-1-ol

InChI:

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

InChI Key:

YNPVNLWKVZZBTM-UHFFFAOYSA-N

SMILES:

OCCCC(CC)C

NSC Number:

109153

Properties

Complexity:

43.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

116.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

116.204g/mol

Monoisotopic Mass:

116.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Recent progress in synthetic biology for microbial production of C3-C10 alcohols.	Frontiers in microbiology 20120101
Enantioselective analysis of methyl-branched alcohols and acids in rhubarb (Rheum rhabarbarum L.) stalks.	Journal of agricultural and food chemistry 20031119