2-cyclobutylhexanoic acid

C10H18O2 — CID 102568246

IUPAC2-cyclobutylhexanoic acid
SMILESCCCCC(C(=O)O)C1CCC1
InChIInChI=1S/C10H18O2/c1-2-3-7-9(10(11)12)8-5-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyYUZUXDFEHBLJFR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds5

About 2-cyclobutylhexanoic acid

2-cyclobutylhexanoic acid (PubChem CID 102568246) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-cyclobutylhexanoic acid.

Molecular Properties

Compound Name2-cyclobutylhexanoic acid
PubChem CID102568246
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-cyclobutylhexanoic acid
SMILESCCCCC(C(=O)O)C1CCC1
InChIInChI=1S/C10H18O2/c1-2-3-7-9(10(11)12)8-5-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyYUZUXDFEHBLJFR-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclobutylhexanoic 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

(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclohexyldecanoic acid
CID 19004831
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238
2-cycloheptylbutanoic acid
CID 79007061
2-(8-tricyclo[5.2.1.02,6]decanyl)hexanoic acid
CID 122684992

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylhexanoic acid?
The IUPAC name of 2-cyclobutylhexanoic acid (CID 102568246) is 2-cyclobutylhexanoic acid.
What is the SMILES notation for 2-cyclobutylhexanoic acid?
The canonical SMILES for 2-cyclobutylhexanoic acid is CCCCC(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutylhexanoic acid?
The InChIKey is YUZUXDFEHBLJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-7-9(10(11)12)8-5-4-6-8/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-cyclobutylhexanoic acid?
2-cyclobutylhexanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylhexanoic acid is sourced from PubChem (CID 102568246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).