[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate

C10H18O2 — CID 156545215

IUPAC[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)10(11)12-9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyBOLFXJBRUQIEOY-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds2

About [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate

[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate (PubChem CID 156545215) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
PubChem CID156545215
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)10(11)12-9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyBOLFXJBRUQIEOY-RKDXNWHRSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
(2-aminocyclopentyl) 2-methylpropanoate
CID 162779526
(2-methylcyclohexyl) 2-(methylamino)propanoate
CID 62637630
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(2-methylcyclohexyl) carbamate
CID 45090963
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
CID 91702025
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
cyclopropyl 2-methylpropanoate
CID 54511576
1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl 2-methylpropanoate
CID 59409243
(2-methylcyclohexyl) propanoate
CID 546179

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate?
The IUPAC name of [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate (CID 156545215) is [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate.
What is the SMILES notation for [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate?
The canonical SMILES for [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate is CC(C)C(=O)O[C@@H]1CCC[C@H]1C.
What is the InChIKey of [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate?
The InChIKey is BOLFXJBRUQIEOY-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(11)12-9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate?
[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate is sourced from PubChem (CID 156545215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).