2-(4-methylcycloheptylidene)acetic acid

C10H16O2 — CID 77055377

IUPAC2-(4-methylcycloheptylidene)acetic acid
SMILESCC1CCCC(=CC(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-8-3-2-4-9(6-5-8)7-10(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyUOWHCNSDQIMYKY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-methylcycloheptylidene)acetic acid

2-(4-methylcycloheptylidene)acetic acid (PubChem CID 77055377) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-methylcycloheptylidene)acetic acid.

Molecular Properties

Compound Name2-(4-methylcycloheptylidene)acetic acid
PubChem CID77055377
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(4-methylcycloheptylidene)acetic acid
SMILESCC1CCCC(=CC(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-8-3-2-4-9(6-5-8)7-10(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyUOWHCNSDQIMYKY-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-methylcycloheptylidene)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcycloheptylidene)acetic acid?
The IUPAC name of 2-(4-methylcycloheptylidene)acetic acid (CID 77055377) is 2-(4-methylcycloheptylidene)acetic acid.
What is the SMILES notation for 2-(4-methylcycloheptylidene)acetic acid?
The canonical SMILES for 2-(4-methylcycloheptylidene)acetic acid is CC1CCCC(=CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylcycloheptylidene)acetic acid?
The InChIKey is UOWHCNSDQIMYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-2-4-9(6-5-8)7-10(11)12/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(4-methylcycloheptylidene)acetic acid?
2-(4-methylcycloheptylidene)acetic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcycloheptylidene)acetic acid is sourced from PubChem (CID 77055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).