methyl 2-(1,2,2-trimethylcyclopentyl)propanoate

C12H22O2 — CID 129216270

IUPACmethyl 2-(1,2,2-trimethylcyclopentyl)propanoate
SMILESCOC(=O)C(C)C1(C)CCCC1(C)C
InChIInChI=1S/C12H22O2/c1-9(10(13)14-5)12(4)8-6-7-11(12,2)3/h9H,6-8H2,1-5H3
InChIKeyPQZOPOYPNQOKCG-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds2

About methyl 2-(1,2,2-trimethylcyclopentyl)propanoate

methyl 2-(1,2,2-trimethylcyclopentyl)propanoate (PubChem CID 129216270) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl 2-(1,2,2-trimethylcyclopentyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,2,2-trimethylcyclopentyl)propanoate
PubChem CID129216270
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl 2-(1,2,2-trimethylcyclopentyl)propanoate
SMILESCOC(=O)C(C)C1(C)CCCC1(C)C
InChIInChI=1S/C12H22O2/c1-9(10(13)14-5)12(4)8-6-7-11(12,2)3/h9H,6-8H2,1-5H3
InChIKeyPQZOPOYPNQOKCG-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The IUPAC name of methyl 2-(1,2,2-trimethylcyclopentyl)propanoate (CID 129216270) is methyl 2-(1,2,2-trimethylcyclopentyl)propanoate.
What is the SMILES notation for methyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The canonical SMILES for methyl 2-(1,2,2-trimethylcyclopentyl)propanoate is COC(=O)C(C)C1(C)CCCC1(C)C.
What is the InChIKey of methyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
The InChIKey is PQZOPOYPNQOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(10(13)14-5)12(4)8-6-7-11(12,2)3/h9H,6-8H2,1-5H3.
What are the key properties of methyl 2-(1,2,2-trimethylcyclopentyl)propanoate?
methyl 2-(1,2,2-trimethylcyclopentyl)propanoate has a molecular weight of 198.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,2-trimethylcyclopentyl)propanoate is sourced from PubChem (CID 129216270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).