(1-methylcyclopentyl) 3-butan-2-ylbenzoate

C17H24O2 — CID 59409248

IUPAC(1-methylcyclopentyl) 3-butan-2-ylbenzoate
SMILESCCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1
InChIInChI=1S/C17H24O2/c1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeySUOHURGLZYSAON-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.69
Rot. Bonds4

About (1-methylcyclopentyl) 3-butan-2-ylbenzoate

(1-methylcyclopentyl) 3-butan-2-ylbenzoate (PubChem CID 59409248) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-methylcyclopentyl) 3-butan-2-ylbenzoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 3-butan-2-ylbenzoate
PubChem CID59409248
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1-methylcyclopentyl) 3-butan-2-ylbenzoate
SMILESCCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1
InChIInChI=1S/C17H24O2/c1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeySUOHURGLZYSAON-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-methylcyclopentyl) 3-butan-2-ylbenzoate 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

tert-butyl 3-butan-2-ylbenzoate;2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate;2-cyclopentylpropan-2-yl 3-butan-2-ylbenzoate;(1-ethylcyclohexyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 3-butan-2-ylbenzoate;2-methylbutan-2-yl 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 160673572
2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
3-anilinopropyl 3-butan-2-ylbenzoate
CID 175424890
(1-methylcyclopropyl) benzoate
CID 14416714
(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate
CID 71288071
methyl 3-(1-aminopropan-2-yl)benzoate
CID 69047814
(1-ethylcyclohexyl) 3-(5-ethyl-2,2,5-trimethylheptan-4-yl)benzoate
CID 123675780
4-butan-2-yl-2-fluoro-1-(2-methylbutan-2-yloxy)benzene;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162129193
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
3-(1-ethylcyclohexyl)oxycarbonylbenzenesulfonic acid
CID 174249446
ethyl 3-[4-[(2R)-butan-2-yl]phenoxy]benzoate
CID 7100431
2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
CID 159899299

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 3-butan-2-ylbenzoate?
The IUPAC name of (1-methylcyclopentyl) 3-butan-2-ylbenzoate (CID 59409248) is (1-methylcyclopentyl) 3-butan-2-ylbenzoate.
What is the SMILES notation for (1-methylcyclopentyl) 3-butan-2-ylbenzoate?
The canonical SMILES for (1-methylcyclopentyl) 3-butan-2-ylbenzoate is CCC(C)c1cccc(C(=O)OC2(C)CCCC2)c1.
What is the InChIKey of (1-methylcyclopentyl) 3-butan-2-ylbenzoate?
The InChIKey is SUOHURGLZYSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-13(2)14-8-7-9-15(12-14)16(18)19-17(3)10-5-6-11-17/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of (1-methylcyclopentyl) 3-butan-2-ylbenzoate?
(1-methylcyclopentyl) 3-butan-2-ylbenzoate has a molecular weight of 260.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 3-butan-2-ylbenzoate is sourced from PubChem (CID 59409248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).