methyl 4-(2,2,3-trimethylcyclopentyl)butanoate

C13H24O2 — CID 102502301

IUPACmethyl 4-(2,2,3-trimethylcyclopentyl)butanoate
SMILESCOC(=O)CCCC1CCC(C)C1(C)C
InChIInChI=1S/C13H24O2/c1-10-8-9-11(13(10,2)3)6-5-7-12(14)15-4/h10-11H,5-9H2,1-4H3
InChIKeyJGKHWSORRMIARP-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds4

About methyl 4-(2,2,3-trimethylcyclopentyl)butanoate

methyl 4-(2,2,3-trimethylcyclopentyl)butanoate (PubChem CID 102502301) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl 4-(2,2,3-trimethylcyclopentyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2,3-trimethylcyclopentyl)butanoate
PubChem CID102502301
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl 4-(2,2,3-trimethylcyclopentyl)butanoate
SMILESCOC(=O)CCCC1CCC(C)C1(C)C
InChIInChI=1S/C13H24O2/c1-10-8-9-11(13(10,2)3)6-5-7-12(14)15-4/h10-11H,5-9H2,1-4H3
InChIKeyJGKHWSORRMIARP-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
CID 141216696
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 5-(4-iodo-5,5-dimethyloxolan-2-yl)pentanoate
CID 10521081
cyclohexanol;dimethyl hexanedioate
CID 19805859
methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
CID 59909521
methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2,3-trimethylcyclopentyl)butanoate?
The IUPAC name of methyl 4-(2,2,3-trimethylcyclopentyl)butanoate (CID 102502301) is methyl 4-(2,2,3-trimethylcyclopentyl)butanoate.
What is the SMILES notation for methyl 4-(2,2,3-trimethylcyclopentyl)butanoate?
The canonical SMILES for methyl 4-(2,2,3-trimethylcyclopentyl)butanoate is COC(=O)CCCC1CCC(C)C1(C)C.
What is the InChIKey of methyl 4-(2,2,3-trimethylcyclopentyl)butanoate?
The InChIKey is JGKHWSORRMIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-8-9-11(13(10,2)3)6-5-7-12(14)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 4-(2,2,3-trimethylcyclopentyl)butanoate?
methyl 4-(2,2,3-trimethylcyclopentyl)butanoate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2,3-trimethylcyclopentyl)butanoate is sourced from PubChem (CID 102502301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).