Trans-3-hexene

CAT: 0127-OR1044196-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1044196-02Size:1 g

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CAS Number

13269-52-8

Synonyms

(E) -hex-3-ene

MDL Number

MFCD00009386

Purity

98%

Smiles

C(=CCC)CC

Chemical Information

trans-3-Hexene

3-hexene is an alkene that is hexane carrying a double bond at position 3.

CAS Number	13269-52-8
PubChem CID	638066
IUPAC Name	(E)-hex-3-ene
Molecular Formula	C6H12
Molecular Weight	84.16
XLogP	2.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	29

SMILES

CC/C=C/CC

InChI

InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey

ZQDPJFUHLCOCRG-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 13269-52-8

CID: 638066

Formula: C6H12

MW: 84.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.16
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	84.093900383
Monoisotopic Mass	84.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	29.3
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