1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C17H26O2 — CID 69369090

IUPAC1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(CC1CCCCC1)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H26O2/c1-12(9-13-5-3-2-4-6-13)19-17(18)16-11-14-7-8-15(16)10-14/h7-8,12-16H,2-6,9-11H2,1H3
InChIKeyPMPOIZFJJWLRRO-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds4

About 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 69369090) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID69369090
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(CC1CCCCC1)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H26O2/c1-12(9-13-5-3-2-4-6-13)19-17(18)16-11-14-7-8-15(16)10-14/h7-8,12-16H,2-6,9-11H2,1H3
InChIKeyPMPOIZFJJWLRRO-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-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 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 69369090) is 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(CC1CCCCC1)OC(=O)C1CC2C=CC1C2.
What is the InChIKey of 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is PMPOIZFJJWLRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(9-13-5-3-2-4-6-13)19-17(18)16-11-14-7-8-15(16)10-14/h7-8,12-16H,2-6,9-11H2,1H3.
What are the key properties of 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 69369090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).