(10R)-10-methylheptadecanoic acid

C18H36O2 — CID 124527302

IUPAC(10R)-10-methylheptadecanoic acid
SMILESCCCCCCC[C@@H](C)CCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyOQCDKBAXFALNLD-QGZVFWFLSA-N
MW284.48 g/mol
LogP6.19
Rot. Bonds15

About (10R)-10-methylheptadecanoic acid

(10R)-10-methylheptadecanoic acid (PubChem CID 124527302) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (10R)-10-methylheptadecanoic acid.

Molecular Properties

Compound Name(10R)-10-methylheptadecanoic acid
PubChem CID124527302
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(10R)-10-methylheptadecanoic acid
SMILESCCCCCCC[C@@H](C)CCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyOQCDKBAXFALNLD-QGZVFWFLSA-N
XLogP6.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(11S)-11-methylhexadecanoic acid
CID 162980930
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
9-methylhexadecanoic acid
CID 5312299
ethane-1,2-diol;12-methyloctadecanoic acid
CID 174615141
8-hydroxypentadecanoic acid;11-methylhenicosane
CID 175544525
4-methyloctanoic acid;nonanoic acid
CID 161166549
4-methyltetradecanoic acid
CID 23454322

Frequently Asked Questions

What is the IUPAC name of (10R)-10-methylheptadecanoic acid?
The IUPAC name of (10R)-10-methylheptadecanoic acid (CID 124527302) is (10R)-10-methylheptadecanoic acid.
What is the SMILES notation for (10R)-10-methylheptadecanoic acid?
The canonical SMILES for (10R)-10-methylheptadecanoic acid is CCCCCCC[C@@H](C)CCCCCCCCC(=O)O.
What is the InChIKey of (10R)-10-methylheptadecanoic acid?
The InChIKey is OQCDKBAXFALNLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (10R)-10-methylheptadecanoic acid?
(10R)-10-methylheptadecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 6.19, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methylheptadecanoic acid is sourced from PubChem (CID 124527302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).