[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate

C18H26O2 — CID 91524771

IUPAC[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)OC2CCCC2(C)CC(C)C)c1
InChIInChI=1S/C18H26O2/c1-13(2)12-18(4)10-6-9-16(18)20-17(19)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3
InChIKeyXHWUSJKWQCIFFK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.76
Rot. Bonds4

About [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate

[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate (PubChem CID 91524771) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate
PubChem CID91524771
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)OC2CCCC2(C)CC(C)C)c1
InChIInChI=1S/C18H26O2/c1-13(2)12-18(4)10-6-9-16(18)20-17(19)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3
InChIKeyXHWUSJKWQCIFFK-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxycarbonyl-2-methylcyclopentyl) 3-methylbenzoate
CID 69200136
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
1-butyl-2-(3-methylbenzoyl)oxycyclopentane-1-carboxylic acid
CID 90985813
(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
CID 91052277
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
[2-ethoxycarbonyl-2-(2-methylpropyl)cyclopentyl] benzoate
CID 69201228
cyclobutyl 3-methylbenzoate
CID 530470
oxan-2-yl 3-methylbenzoate
CID 139991124
[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-yl] 3-methylbenzoate
CID 11870132
(1-methylpiperidin-1-ium-4-yl) 3-methylbenzoate chloride
CID 43834607
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537
[2-methyl-2-[1-methyl-2-(3-methylbenzoyl)peroxy-4-propan-2-ylcyclohexyl]oxycarbonyloxy-5-propan-2-ylcyclohexyl] 3-methylbenzenecarboperoxoate
CID 139901037

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate?
The IUPAC name of [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate (CID 91524771) is [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate.
What is the SMILES notation for [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate?
The canonical SMILES for [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate is Cc1cccc(C(=O)OC2CCCC2(C)CC(C)C)c1.
What is the InChIKey of [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate?
The InChIKey is XHWUSJKWQCIFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13(2)12-18(4)10-6-9-16(18)20-17(19)15-8-5-7-14(3)11-15/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3.
What are the key properties of [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate?
[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate has a molecular weight of 274.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate is sourced from PubChem (CID 91524771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).