2,15-dimethyloctadecanoic acid

C20H40O2 — CID 22251958

IUPAC2,15-dimethyloctadecanoic acid
SMILESCCCC(C)CCCCCCCCCCCCC(C)C(=O)O
InChIInChI=1S/C20H40O2/c1-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
InChIKeySOZFBAYHQVIGDT-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.82
Rot. Bonds16

About 2,15-dimethyloctadecanoic acid

2,15-dimethyloctadecanoic acid (PubChem CID 22251958) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,15-dimethyloctadecanoic acid.

Molecular Properties

Compound Name2,15-dimethyloctadecanoic acid
PubChem CID22251958
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2,15-dimethyloctadecanoic acid
SMILESCCCC(C)CCCCCCCCCCCCC(C)C(=O)O
InChIInChI=1S/C20H40O2/c1-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
InChIKeySOZFBAYHQVIGDT-UHFFFAOYSA-N
XLogP6.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.82
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

2,10-dimethyltridecanoic acid
CID 22251986
2,11-dimethylhexadecanoic acid
CID 22251936
2,5-dimethylhexadecanoic acid
CID 22251811
heptane;2-methylheptadecanoic acid
CID 175511035
2-methyloctanoic acid chloride
CID 86745562
methanol;2-methylheptanoic acid
CID 174821979
2,9,10-trimethyloctadecanoic acid
CID 14298664
2-hydroxy-7-methyldecanoic acid
CID 141014301
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233

Frequently Asked Questions

What is the IUPAC name of 2,15-dimethyloctadecanoic acid?
The IUPAC name of 2,15-dimethyloctadecanoic acid (CID 22251958) is 2,15-dimethyloctadecanoic acid.
What is the SMILES notation for 2,15-dimethyloctadecanoic acid?
The canonical SMILES for 2,15-dimethyloctadecanoic acid is CCCC(C)CCCCCCCCCCCCC(C)C(=O)O.
What is the InChIKey of 2,15-dimethyloctadecanoic acid?
The InChIKey is SOZFBAYHQVIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22).
What are the key properties of 2,15-dimethyloctadecanoic acid?
2,15-dimethyloctadecanoic acid has a molecular weight of 312.54 g/mol, XLogP of 6.82, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15-dimethyloctadecanoic acid is sourced from PubChem (CID 22251958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).