[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate

C18H24O4 — CID 167762718

IUPAC[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate
SMILESO=C(OC/C=C/COC(=O)C1CC2CC2C1)C1CC2CC2C1
InChIInChI=1S/C18H24O4/c19-17(15-7-11-5-12(11)8-15)21-3-1-2-4-22-18(20)16-9-13-6-14(13)10-16/h1-2,11-16H,3-10H2/b2-1+
InChIKeyUELGVVKNJGERJS-OWOJBTEDSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds6

About [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate

[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 167762718) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Name[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate
PubChem CID167762718
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate
SMILESO=C(OC/C=C/COC(=O)C1CC2CC2C1)C1CC2CC2C1
InChIInChI=1S/C18H24O4/c19-17(15-7-11-5-12(11)8-15)21-3-1-2-4-22-18(20)16-9-13-6-14(13)10-16/h1-2,11-16H,3-10H2/b2-1+
InChIKeyUELGVVKNJGERJS-OWOJBTEDSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate 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 [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate (CID 167762718) is [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate is O=C(OC/C=C/COC(=O)C1CC2CC2C1)C1CC2CC2C1.
What is the InChIKey of [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is UELGVVKNJGERJS-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H24O4/c19-17(15-7-11-5-12(11)8-15)21-3-1-2-4-22-18(20)16-9-13-6-14(13)10-16/h1-2,11-16H,3-10H2/b2-1+.
What are the key properties of [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate?
[(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(bicyclo[3.1.0]hexane-3-carbonyloxy)but-2-enyl] bicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 167762718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).