Trans-2-octenoic acid

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CAS Number

1871-67-6

MDL Number

MFCD00002706

Purity

98%

Smiles

CCCCC\C=C\C(=O)O

Chemical Information

trans-2-Octenoic acid

(2E)-oct-2-enoic acid is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a monounsaturated fatty acid, an olefinic fatty acid, a straight-chain fatty acid and a medium-chain fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate.

CAS Number	1871-67-6
PubChem CID	5282714
IUPAC Name	(E)-oct-2-enoic acid
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CCCCC/C=C/C(=O)O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

InChIKey

CWMPPVPFLSZGCY-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 1871-67-6

CID: 5282714

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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

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Alternative Products

Catalog	Name
TRC-T705480-100MG	trans-2-Octenoic Acid
O01468-01	Trans-2-Octenoic acid 94%
285936-01	Trans-2-Octenoic acid ethyl ester
GTR19158337-01	2-Octenoic acid
T74028-01	(Z) -2-Octenoic acid
O01460-01	2-Octenoic acid 97%
FO173031-01	(E) -2-Octenoic acid
MBS5816056	(Z)-2-Octenoic acid
GTR19245286-01	3-Octenoic acid
TRC-D630170-10MG	2H-Perfluoro-2-octenoic Acid

Trans-2-octenoic acid

Chemical Information

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