2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate

C23H34O3 — CID 141100914

IUPAC2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate
SMILESCc1ccc(COC2CCCC2(C(=O)OCC(C)C)C2CCCC2)cc1
InChIInChI=1S/C23H34O3/c1-17(2)15-26-22(24)23(20-7-4-5-8-20)14-6-9-21(23)25-16-19-12-10-18(3)11-13-19/h10-13,17,20-21H,4-9,14-16H2,1-3H3
InChIKeyVNXCHKNOGAXPAJ-UHFFFAOYSA-N
MW358.52 g/mol
LogP5.44
Rot. Bonds7

About 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate

2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate (PubChem CID 141100914) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate
PubChem CID141100914
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate
SMILESCc1ccc(COC2CCCC2(C(=O)OCC(C)C)C2CCCC2)cc1
InChIInChI=1S/C23H34O3/c1-17(2)15-26-22(24)23(20-7-4-5-8-20)14-6-9-21(23)25-16-19-12-10-18(3)11-13-19/h10-13,17,20-21H,4-9,14-16H2,1-3H3
InChIKeyVNXCHKNOGAXPAJ-UHFFFAOYSA-N
XLogP5.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-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-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate?
The IUPAC name of 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate (CID 141100914) is 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate is Cc1ccc(COC2CCCC2(C(=O)OCC(C)C)C2CCCC2)cc1.
What is the InChIKey of 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate?
The InChIKey is VNXCHKNOGAXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3/c1-17(2)15-26-22(24)23(20-7-4-5-8-20)14-6-9-21(23)25-16-19-12-10-18(3)11-13-19/h10-13,17,20-21H,4-9,14-16H2,1-3H3.
What are the key properties of 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate?
2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate has a molecular weight of 358.52 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 141100914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).