2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate

C17H26O2 — CID 20669195

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate
SMILESCC1=CCC(C(C)(C)OC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C17H26O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-5,9,14-15H,6-8,10-12H2,1-3H3
InChIKeyBJTYRNANPWPOGC-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate (PubChem CID 20669195) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate
PubChem CID20669195
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate
SMILESCC1=CCC(C(C)(C)OC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C17H26O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-5,9,14-15H,6-8,10-12H2,1-3H3
InChIKeyBJTYRNANPWPOGC-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-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 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate (CID 20669195) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate is CC1=CCC(C(C)(C)OC(=O)C2CC=CCC2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate?
The InChIKey is BJTYRNANPWPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-5,9,14-15H,6-8,10-12H2,1-3H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate?
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 20669195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).