ethyl (2E)-2-(3-methylcyclopentylidene)acetate

C10H16O2 — CID 14735761

IUPACethyl (2E)-2-(3-methylcyclopentylidene)acetate
SMILESCCOC(=O)/C=C1\CCC(C)C1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)7-9-5-4-8(2)6-9/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyQCCMHZUSNYYSER-VQHVLOKHSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About ethyl (2E)-2-(3-methylcyclopentylidene)acetate

ethyl (2E)-2-(3-methylcyclopentylidene)acetate (PubChem CID 14735761) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl (2E)-2-(3-methylcyclopentylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-methylcyclopentylidene)acetate
PubChem CID14735761
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl (2E)-2-(3-methylcyclopentylidene)acetate
SMILESCCOC(=O)/C=C1\CCC(C)C1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)7-9-5-4-8(2)6-9/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyQCCMHZUSNYYSER-VQHVLOKHSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-(3-methylcyclopentylidene)acetate 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 ethyl (2E)-2-(3-methylcyclopentylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-methylcyclopentylidene)acetate (CID 14735761) is ethyl (2E)-2-(3-methylcyclopentylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-methylcyclopentylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-methylcyclopentylidene)acetate is CCOC(=O)/C=C1\CCC(C)C1.
What is the InChIKey of ethyl (2E)-2-(3-methylcyclopentylidene)acetate?
The InChIKey is QCCMHZUSNYYSER-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10(11)7-9-5-4-8(2)6-9/h7-8H,3-6H2,1-2H3/b9-7+.
What are the key properties of ethyl (2E)-2-(3-methylcyclopentylidene)acetate?
ethyl (2E)-2-(3-methylcyclopentylidene)acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-methylcyclopentylidene)acetate is sourced from PubChem (CID 14735761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).