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

Related Compounds

(2R)-2-(4-tert-butylphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
CID 122662634
3,3,6,6-Tetramethyl-3a-p-tolyl-tetrahydro-furo[3,2-b]furan-2,5-dione
CID 2914114
Malayenolide A
CID 10696013
2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(p-tolyl)-, (E)-
CID 21789883
9,9-Dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione
CID 2940482
(1S,3aR,8aR,8bR)-5,5,8a-trimethyl-1-(4-methylphenyl)-1,3a,6,7,8,8b-hexahydroindeno[1,2-c]furan-3-one
CID 10924961
Methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 57397863
Methyl 2-(acetoxy(p-tolyl)methyl)acrylate
CID 13929721
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(4-propan-2-ylphenyl)-2H-furan-5-one
CID 122662633
14-Phenyl-13-oxadispiro[4.1.4.3]tetradecane-6,12-dione
CID 2941512
(1S,3aR,8aR,8bR)-5,5,8a-trimethyl-1-phenyl-1,3a,6,7,8,8b-hexahydroindeno[1,2-c]furan-3-one
CID 11781446
ethyl 3-(4-tert-butylphenyl)-4-oxo-3,6-dihydro-1H-furo[3,4-c]pyran-3a-carboxylate
CID 54584603

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).