Trans-2-Hepten-1-ol

CAT: 0024-sc-280146ASize: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-280146ASize:25 mL

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CAS Number

33467-76-4

Chemical Information

2-Heptenol

2-heptenol has been reported in Solanum lycopersicum and Aspalathus linearis with data available.

CAS Number	33467-76-4
PubChem CID	5318017
IUPAC Name	(E)-hept-2-en-1-ol
Molecular Formula	C7H14O
Molecular Weight	114.19
XLogP	1.9
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	57

SMILES

CCCC/C=C/CO

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+

InChIKey

ASFYPVGAALGVNR-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 33467-76-4

CID: 5318017

Formula: C7H14O

MW: 114.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.19
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	114.104465066
Monoisotopic Mass	114.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	57.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes