methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate

C18H26O2 — CID 2750766

IUPACmethyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(CCc2ccccc2)C1(C)C
InChIInChI=1S/C18H26O2/c1-17(2)15(11-10-14-8-6-5-7-9-14)12-13-18(17,3)16(19)20-4/h5-9,15H,10-13H2,1-4H3
InChIKeyJOLMEGIGGGABOB-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.23
Rot. Bonds4

About methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate

methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate (PubChem CID 2750766) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
PubChem CID2750766
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namemethyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(CCc2ccccc2)C1(C)C
InChIInChI=1S/C18H26O2/c1-17(2)15(11-10-14-8-6-5-7-9-14)12-13-18(17,3)16(19)20-4/h5-9,15H,10-13H2,1-4H3
InChIKeyJOLMEGIGGGABOB-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3S)-1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 7054124
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
trans-methyl (1S,2R)-1-hydroxy-3-methylidene-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 135055071
2-[[(3S)-3-methoxycarbonyl-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid
CID 5287145
[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
CID 69199999
trans-methyl (1R,3S)-1,2,2-trimethyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)cyclopentane-1-carboxylate
CID 51031999
methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
CID 70055348
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylpropanoate
CID 2832696
2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
CID 7054018
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate (CID 2750766) is methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate is COC(=O)C1(C)CCC(CCc2ccccc2)C1(C)C.
What is the InChIKey of methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate?
The InChIKey is JOLMEGIGGGABOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-17(2)15(11-10-14-8-6-5-7-9-14)12-13-18(17,3)16(19)20-4/h5-9,15H,10-13H2,1-4H3.
What are the key properties of methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate?
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate has a molecular weight of 274.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2750766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).