4-(2-methoxyethylidene)cyclopentene

C8H12O — CID 11116053

IUPAC4-(2-methoxyethylidene)cyclopentene
SMILESCOCC=C1CC=CC1
InChIInChI=1S/C8H12O/c1-9-7-6-8-4-2-3-5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyTVPLPPLIGFOSOC-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds2

About 4-(2-methoxyethylidene)cyclopentene

4-(2-methoxyethylidene)cyclopentene (PubChem CID 11116053) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-(2-methoxyethylidene)cyclopentene.

Molecular Properties

Compound Name4-(2-methoxyethylidene)cyclopentene
PubChem CID11116053
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-(2-methoxyethylidene)cyclopentene
SMILESCOCC=C1CC=CC1
InChIInChI=1S/C8H12O/c1-9-7-6-8-4-2-3-5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyTVPLPPLIGFOSOC-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylidene)cyclopentene?
The IUPAC name of 4-(2-methoxyethylidene)cyclopentene (CID 11116053) is 4-(2-methoxyethylidene)cyclopentene.
What is the SMILES notation for 4-(2-methoxyethylidene)cyclopentene?
The canonical SMILES for 4-(2-methoxyethylidene)cyclopentene is COCC=C1CC=CC1.
What is the InChIKey of 4-(2-methoxyethylidene)cyclopentene?
The InChIKey is TVPLPPLIGFOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-9-7-6-8-4-2-3-5-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-methoxyethylidene)cyclopentene?
4-(2-methoxyethylidene)cyclopentene has a molecular weight of 124.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylidene)cyclopentene is sourced from PubChem (CID 11116053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).