8-cyclobutyloctanoic acid

C12H22O2 — CID 72551210

IUPAC8-cyclobutyloctanoic acid
SMILESO=C(O)CCCCCCCC1CCC1
InChIInChI=1S/C12H22O2/c13-12(14)10-5-3-1-2-4-7-11-8-6-9-11/h11H,1-10H2,(H,13,14)
InChIKeyCQSHUGGCCGHQJV-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.60
Rot. Bonds8

About 8-cyclobutyloctanoic acid

8-cyclobutyloctanoic acid (PubChem CID 72551210) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 8-cyclobutyloctanoic acid.

Molecular Properties

Compound Name8-cyclobutyloctanoic acid
PubChem CID72551210
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name8-cyclobutyloctanoic acid
SMILESO=C(O)CCCCCCCC1CCC1
InChIInChI=1S/C12H22O2/c13-12(14)10-5-3-1-2-4-7-11-8-6-9-11/h11H,1-10H2,(H,13,14)
InChIKeyCQSHUGGCCGHQJV-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-cyclobutyloctanoic 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

7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyloctanoic acid?
The IUPAC name of 8-cyclobutyloctanoic acid (CID 72551210) is 8-cyclobutyloctanoic acid.
What is the SMILES notation for 8-cyclobutyloctanoic acid?
The canonical SMILES for 8-cyclobutyloctanoic acid is O=C(O)CCCCCCCC1CCC1.
What is the InChIKey of 8-cyclobutyloctanoic acid?
The InChIKey is CQSHUGGCCGHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-12(14)10-5-3-1-2-4-7-11-8-6-9-11/h11H,1-10H2,(H,13,14).
What are the key properties of 8-cyclobutyloctanoic acid?
8-cyclobutyloctanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyloctanoic acid is sourced from PubChem (CID 72551210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).