[(1S,2S)-2-methylcyclopentyl] acetate

C8H14O2 — CID 22212873

IUPAC[(1S,2S)-2-methylcyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6)10-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyLYFLFZRUQLBWKF-XPUUQOCRSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds1

About [(1S,2S)-2-methylcyclopentyl] acetate

[(1S,2S)-2-methylcyclopentyl] acetate (PubChem CID 22212873) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclopentyl] acetate
PubChem CID22212873
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(1S,2S)-2-methylcyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6)10-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyLYFLFZRUQLBWKF-XPUUQOCRSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,5Z,6S)-5-ethylidene-2,6-dimethylcyclononyl] acetate
CID 71104012
[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
CID 156545215
(2-methylcyclohexyl) carbamate
CID 45090963
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
(3-ethyl-2-methylcyclohexyl) acetate
CID 146440367
(2-methylcyclohexyl) propanoate
CID 546179
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[2-(aminomethyl)cyclopentyl] acetate
CID 174436226

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclopentyl] acetate?
The IUPAC name of [(1S,2S)-2-methylcyclopentyl] acetate (CID 22212873) is [(1S,2S)-2-methylcyclopentyl] acetate.
What is the SMILES notation for [(1S,2S)-2-methylcyclopentyl] acetate?
The canonical SMILES for [(1S,2S)-2-methylcyclopentyl] acetate is CC(=O)O[C@H]1CCC[C@@H]1C.
What is the InChIKey of [(1S,2S)-2-methylcyclopentyl] acetate?
The InChIKey is LYFLFZRUQLBWKF-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-3-5-8(6)10-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclopentyl] acetate?
[(1S,2S)-2-methylcyclopentyl] acetate has a molecular weight of 142.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclopentyl] acetate is sourced from PubChem (CID 22212873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).