4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione

C17H22O3 — CID 72785401

IUPAC4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
SMILESC=CC1CC(C=CC2CCCCC2)C2C(=O)OC(=O)C12
InChIInChI=1S/C17H22O3/c1-2-12-10-13(9-8-11-6-4-3-5-7-11)15-14(12)16(18)20-17(15)19/h2,8-9,11-15H,1,3-7,10H2
InChIKeyKARXRZPNSVHVJD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds3

About 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione

4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione (PubChem CID 72785401) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione.

Molecular Properties

Compound Name4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
PubChem CID72785401
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
SMILESC=CC1CC(C=CC2CCCCC2)C2C(=O)OC(=O)C12
InChIInChI=1S/C17H22O3/c1-2-12-10-13(9-8-11-6-4-3-5-7-11)15-14(12)16(18)20-17(15)19/h2,8-9,11-15H,1,3-7,10H2
InChIKeyKARXRZPNSVHVJD-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The IUPAC name of 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione (CID 72785401) is 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione.
What is the SMILES notation for 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The canonical SMILES for 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione is C=CC1CC(C=CC2CCCCC2)C2C(=O)OC(=O)C12.
What is the InChIKey of 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The InChIKey is KARXRZPNSVHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-12-10-13(9-8-11-6-4-3-5-7-11)15-14(12)16(18)20-17(15)19/h2,8-9,11-15H,1,3-7,10H2.
What are the key properties of 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione has a molecular weight of 274.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione is sourced from PubChem (CID 72785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).