2-Methyltetradecanoic acid

CAT: 0127-OR1061283-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061283-02Size:250 mg

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CAS Number

6683-71-2

MDL Number

MFCD11554185

Purity

98%

Smiles

CCCCCCCCCCCCC (C) C (O) =O

Chemical Information

Tetradecanoic acid, 2-methyl-

2-methyl-tetradecanoic acid is a long-chain fatty acid.

CAS Number	6683-71-2
PubChem CID	99723
IUPAC Name	2-methyltetradecanoic acid
Molecular Formula	C15H30O2
Molecular Weight	242.40
XLogP	6.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	17
Formal Charge	0
Complexity	178

SMILES

CCCCCCCCCCCCC(C)C(=O)O

InChI

InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

InChIKey

BWCZFWIRIAYLHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6683-71-2

CID: 99723

Formula: C15H30O2

MW: 242.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.40
XLogP3	6.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	242.224580195
Monoisotopic Mass	242.224580195
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	178
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

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Catalog	Name
T27807-01	13-Methyltetradecanoic acid
AR-F09701-01	6-Methyltetradecanoic Acid
HY-121943	12-Methyltetradecanoic acid
HY-131503S	13-Methyltetradecanoic acid-d6
sc-484041	6-Methyltetradecanoic acid methyl ester
438827	6-Methyltetradecanoic Acid Ethyl Ester
GTR19270502-01	13-hydroxy-12-methyltetradecanoic acid
GTR19270500-01	11-hydroxy-12-methyltetradecanoic acid
GTR19270503-01	12-hydroxy-12-methyltetradecanoic acid
438830-01	6-Methyltetradecanoic Acid Methyl Ester-d3