5-methyl-3-Heptanol

Compound Structure:

Synonyms:

5-Methyl-3-heptanol;5-Methylheptan-3-ol;18720-65-5;3-Heptanol, 5-methyl-;AI3-28629;EINECS 242-531-2;3-Methyl-5-heptanol;5-methyl-heptan-3-ol;3-Heptanol,5-methyl-

Compound ID:

NMPC-451

PubChem ID:

86782

Molecular Formula:

C8H18O

Canonical SMILES:

CCC(C)CC(CC)O

InChIKey:

SECKOSOTZOBWEI-UHFFFAOYSA-N

About the compound:

Properties:

GHS Hazard Statements

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	130.23 g/mol
XLogP3-AA	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	130.135765193 g/mol
Monoisotopic Mass	130.135765193 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	61.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Pteris togoensis

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