2-cyclopropylhexadecanoic acid

C19H36O2 — CID 67041212

IUPAC2-cyclopropylhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(=O)O)C1CC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(19(20)21)17-15-16-17/h17-18H,2-16H2,1H3,(H,20,21)
InChIKeySCBINNOAAOMWGG-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.19
Rot. Bonds15

About 2-cyclopropylhexadecanoic acid

2-cyclopropylhexadecanoic acid (PubChem CID 67041212) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-cyclopropylhexadecanoic acid.

Molecular Properties

Compound Name2-cyclopropylhexadecanoic acid
PubChem CID67041212
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2-cyclopropylhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(=O)O)C1CC1
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(19(20)21)17-15-16-17/h17-18H,2-16H2,1H3,(H,20,21)
InChIKeySCBINNOAAOMWGG-UHFFFAOYSA-N
XLogP6.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropylhexadecanoic 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-cyclopropylnonanoic acid
CID 139682006
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclobutylhexanoic acid
CID 102568246
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
2,15-dicyclopropyl-16-methoxy-16-oxohexadecanoic acid
CID 66795678
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
4-cyclopropylheptadecanoic acid
CID 68637833
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-icosylpropanedioic acid
CID 11582738

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylhexadecanoic acid?
The IUPAC name of 2-cyclopropylhexadecanoic acid (CID 67041212) is 2-cyclopropylhexadecanoic acid.
What is the SMILES notation for 2-cyclopropylhexadecanoic acid?
The canonical SMILES for 2-cyclopropylhexadecanoic acid is CCCCCCCCCCCCCCC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropylhexadecanoic acid?
The InChIKey is SCBINNOAAOMWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(19(20)21)17-15-16-17/h17-18H,2-16H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropylhexadecanoic acid?
2-cyclopropylhexadecanoic acid has a molecular weight of 296.50 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 2-cyclopropylhexadecanoic acid is sourced from PubChem (CID 67041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).