(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate

C22H26O2 — CID 91052277

IUPAC(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
SMILESCCC1(Cc2ccccc2)CCCC1OC(=O)c1cccc(C)c1
InChIInChI=1S/C22H26O2/c1-3-22(16-18-10-5-4-6-11-18)14-8-13-20(22)24-21(23)19-12-7-9-17(2)15-19/h4-7,9-12,15,20H,3,8,13-14,16H2,1-2H3
InChIKeyPPAMTDHHKIORFR-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.34
Rot. Bonds5

About (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate

(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate (PubChem CID 91052277) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate.

Molecular Properties

Compound Name(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
PubChem CID91052277
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
SMILESCCC1(Cc2ccccc2)CCCC1OC(=O)c1cccc(C)c1
InChIInChI=1S/C22H26O2/c1-3-22(16-18-10-5-4-6-11-18)14-8-13-20(22)24-21(23)19-12-7-9-17(2)15-19/h4-7,9-12,15,20H,3,8,13-14,16H2,1-2H3
InChIKeyPPAMTDHHKIORFR-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxycarbonyl-2-methylcyclopentyl) 3-methylbenzoate
CID 69200136
1-butyl-2-(3-methylbenzoyl)oxycyclopentane-1-carboxylic acid
CID 90985813
[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate
CID 91524771
(2-benzyl-2-methoxycarbonylcyclopentyl) 4-methylbenzoate
CID 69199533
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
cyclobutyl 3-methylbenzoate
CID 530470
(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate
CID 91115714
[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
CID 69199999
[2-ethoxycarbonyl-2-(2-methylpropyl)cyclopentyl] benzoate
CID 69201228
oxan-2-yl 3-methylbenzoate
CID 139991124
[(1S,2R)-2-benzoyloxy-2-methylcyclohexyl] benzoate
CID 7107271
phenylmethoxycarbonylamino 3-methylbenzoate
CID 174511034

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate?
The IUPAC name of (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate (CID 91052277) is (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate.
What is the SMILES notation for (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate?
The canonical SMILES for (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate is CCC1(Cc2ccccc2)CCCC1OC(=O)c1cccc(C)c1.
What is the InChIKey of (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate?
The InChIKey is PPAMTDHHKIORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-22(16-18-10-5-4-6-11-18)14-8-13-20(22)24-21(23)19-12-7-9-17(2)15-19/h4-7,9-12,15,20H,3,8,13-14,16H2,1-2H3.
What are the key properties of (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate?
(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate has a molecular weight of 322.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate is sourced from PubChem (CID 91052277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).