methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate

C15H20O2 — CID 10857326

IUPACmethyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-11-6-8-12(9-7-11)15(2)10-4-5-13(15)14(16)17-3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyJZEMQYCRIPJJSF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.23
Rot. Bonds2

About methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate

methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate (PubChem CID 10857326) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
PubChem CID10857326
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-11-6-8-12(9-7-11)15(2)10-4-5-13(15)14(16)17-3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyJZEMQYCRIPJJSF-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl (4S)-7-methylidenespiro[2.4]heptane-4-carboxylate
CID 639206
methyl 2,2,4-trimethylcyclohex-3-ene-1-carboxylate
CID 16752843
methyl 2-methyl-2-(4-methylphenyl)-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-5-carboxylate
CID 20777060
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
methyl (1S)-1-(4-methylphenyl)-2-oxocyclopentane-1-carboxylate
CID 164684981
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
methyl 6-amino-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
CID 146256432
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
methyl 3,3-bis(4-hydroxy-3-methylphenyl)cyclohexane-1-carboxylate
CID 139710732
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
CID 11086513

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate (CID 10857326) is methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1(C)c1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate?
The InChIKey is JZEMQYCRIPJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-6-8-12(9-7-11)15(2)10-4-5-13(15)14(16)17-3/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate?
methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 10857326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).