[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate

C25H32O4 — CID 166987292

IUPAC[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate
SMILESO=C(OC1C2CC(c3ccccc32)C1OC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H32O4/c26-24(16-9-3-1-4-10-16)28-22-20-15-21(19-14-8-7-13-18(19)20)23(22)29-25(27)17-11-5-2-6-12-17/h7-8,13-14,16-17,20-23H,1-6,9-12,15H2
InChIKeyURJZREYGYWRPDM-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.26
Rot. Bonds4

About [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate

[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate (PubChem CID 166987292) has the molecular formula C25H32O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate
PubChem CID166987292
Molecular FormulaC25H32O4
Molecular Weight396.53 g/mol
Exact Mass396.23
IUPAC Name[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate
SMILESO=C(OC1C2CC(c3ccccc32)C1OC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H32O4/c26-24(16-9-3-1-4-10-16)28-22-20-15-21(19-14-8-7-13-18(19)20)23(22)29-25(27)17-11-5-2-6-12-17/h7-8,13-14,16-17,20-23H,1-6,9-12,15H2
InChIKeyURJZREYGYWRPDM-UHFFFAOYSA-N
XLogP5.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate 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 [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate?
The IUPAC name of [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate (CID 166987292) is [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate.
What is the SMILES notation for [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate?
The canonical SMILES for [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate is O=C(OC1C2CC(c3ccccc32)C1OC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate?
The InChIKey is URJZREYGYWRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O4/c26-24(16-9-3-1-4-10-16)28-22-20-15-21(19-14-8-7-13-18(19)20)23(22)29-25(27)17-11-5-2-6-12-17/h7-8,13-14,16-17,20-23H,1-6,9-12,15H2.
What are the key properties of [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate?
[10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate has a molecular weight of 396.53 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(cyclohexanecarbonyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] cyclohexanecarboxylate is sourced from PubChem (CID 166987292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).