2-Methyl-2-pentenoic acid

CAT: 0926-RAA95770Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-RAA95770Size:50 g

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CAS Number

16957-70-3

MDL Number

MFCD00002655

Smiles

CC/C=C (\C) /C (=O) O

Controlled

Chemical Information

2-Methyl-2-pentenoic acid

2-Methyl-2-pentenoic acid is a methyl-branched fatty acid. It is a conjugate acid of a 2-methyl-(2E)-pentenoate(1-).

CAS Number	16957-70-3
PubChem CID	5365909
IUPAC Name	(E)-2-methylpent-2-enoic acid
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	114

SMILES

CC/C=C(\C)/C(=O)O

InChI

InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+

InChIKey

JJYWRQLLQAKNAD-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 16957-70-3

CID: 5365909

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114
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

Catalog	Name
FM35594	4-Methyl-2-pentenoic acid
FP34762	2-Pentenoic acid
AAA81857	4-Pentenoic acid methyl ester
RAA38693	2,2-Dimethyl-4-pentenoic Acid
IBA78647-01	2-Propyl- (E) -2-pentenoic Acid
FP27231-01	(+/-) -2-Propyl-4-pentenoic acid
FM01022	2-Methyl pentanoic acid
FP63379-01	4-Pentenoic acid
RAA66645-01	(E) -4,4-Dimethyl-2-pentenoic acid
AIA35020-01	4-Methyl-2- (2-methylphenyl) pentanoic acid