DL-α-Methylpentadecanoic acid

CAT: 0926-FM172282-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FM172282-04Size:100 mg

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CAS Number

25354-92-1

Smiles

CCCCCCCCCCCCCC (C) C (=O) O

Molecular Formula

C16H32O2

Molecular Weight

256.42 g/mol

Controlled

Chemical Information

2-Methylpentadecanoic acid

Pentadecanoic acid, 2-methyl- has been reported in Chondrosia reniformis, Aplysina lacunosa, and other organisms with data available.

CAS Number	25354-92-1
PubChem CID	91424
IUPAC Name	2-methylpentadecanoic acid
Molecular Formula	C16H32O2
Molecular Weight	256.42
XLogP	7.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Heavy Atom Count	18
Formal Charge	0
Complexity	190

SMILES

CCCCCCCCCCCCCC(C)C(=O)O

InChI

InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

InChIKey

XEFOHUNTIRSZAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25354-92-1

CID: 91424

Formula: C16H32O2

MW: 256.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.42
XLogP3	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	256.240230259
Monoisotopic Mass	256.240230259
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	190
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

Catalog	Name
VAA12196-01	13-Methylpentadecanoic acid
FP34562-01	DL-Pipecolinic acid
FL14256-01	DL-Lactic acid
FH52425	DL-Homocysteic acid
FA09857-01	DL-Aminobutyric acid
FT183081-01	DL-Tropic acid
FP39320-01	DL-Pyroglutamic acid
FM25003-01	DL-Malic acid
FM182852-01	DL-α-Methoxyphenylacetic acid
FH67285-01	DL-α-Hydroxymyristic acid

Catalog	Name
HY-165747	13-Methylpentadecanoic acid
TRC-M321320-10MG	14-Methylpentadecanoic Acid
RG-E242637-01	2-methylpentadecanoic acid
RG-E242639-01	Isopalmitic acid;14-methylpentadecanoic acid
OR6474	15-Phenyl-3-methylpentadecanoic acid
GTR19270514-01	13,14-dihydroxy-14-methylpentadecanoic acid
27534819-25g	DL-alpha-Lipoic acid (DL Thioctic acid)
HY-Y1315-01	DL-Tartaric acid
HY-W015824-01	DL-Aspartic acid
T9371-01	DL-Pyroglutamic acid