3-Methyl-1-pentanol

CAT: 0024-sc-238582Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238582Size:5 g

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CAS Number

589-35-5

Chemical Information

3-Methyl-1-pentanol

3-methylpentanol is a primary alcohol that is pentanol substituted by a methyl group at position 3. It has a role as a plant metabolite.

CAS Number	589-35-5
PubChem CID	11508
IUPAC Name	3-methylpentan-1-ol
Molecular Formula	C6H14O
Molecular Weight	102.17
XLogP	1.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	35

SMILES

CCC(C)CCO

InChI

InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

InChIKey

IWTBVKIGCDZRPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-35-5

CID: 11508

Formula: C6H14O

MW: 102.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	102.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	102.104465066
Monoisotopic Mass	102.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	35.2
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