2-Methyl-3-hexanol

CAT: 0024-sc-230514Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-230514Size:25 mL

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CAS Number

617-29-8

Chemical Information

2-Methyl-3-hexanol

CAS Number	617-29-8
PubChem CID	12040
IUPAC Name	2-methylhexan-3-ol
Molecular Formula	C7H16O
Molecular Weight	116.20
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	50

SMILES

CCCC(C(C)C)O

InChI

InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3

InChIKey

RGRUUTLDBCWYBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 617-29-8

CID: 12040

Formula: C7H16O

MW: 116.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	116.120115130
Monoisotopic Mass	116.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	50.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes