2,10-dimethyltridecanoic acid

C15H30O2 — CID 22251986

IUPAC2,10-dimethyltridecanoic acid
SMILESCCCC(C)CCCCCCCC(C)C(=O)O
InChIInChI=1S/C15H30O2/c1-4-10-13(2)11-8-6-5-7-9-12-14(3)15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17)
InChIKeyFWGZMGOASGDHKX-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.87
Rot. Bonds11

About 2,10-dimethyltridecanoic acid

2,10-dimethyltridecanoic acid (PubChem CID 22251986) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,10-dimethyltridecanoic acid.

Molecular Properties

Compound Name2,10-dimethyltridecanoic acid
PubChem CID22251986
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,10-dimethyltridecanoic acid
SMILESCCCC(C)CCCCCCCC(C)C(=O)O
InChIInChI=1S/C15H30O2/c1-4-10-13(2)11-8-6-5-7-9-12-14(3)15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17)
InChIKeyFWGZMGOASGDHKX-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,10-dimethyltridecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,15-dimethyloctadecanoic acid
CID 22251958
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 2,10-dimethyltridecanoic acid?
The IUPAC name of 2,10-dimethyltridecanoic acid (CID 22251986) is 2,10-dimethyltridecanoic acid.
What is the SMILES notation for 2,10-dimethyltridecanoic acid?
The canonical SMILES for 2,10-dimethyltridecanoic acid is CCCC(C)CCCCCCCC(C)C(=O)O.
What is the InChIKey of 2,10-dimethyltridecanoic acid?
The InChIKey is FWGZMGOASGDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-10-13(2)11-8-6-5-7-9-12-14(3)15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 2,10-dimethyltridecanoic acid?
2,10-dimethyltridecanoic acid has a molecular weight of 242.40 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyltridecanoic acid is sourced from PubChem (CID 22251986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).