[(1S,2S)-2-ethylcyclopentyl]methyl acetate

C10H18O2 — CID 91697713

IUPAC[(1S,2S)-2-ethylcyclopentyl]methyl acetate
SMILESCC[C@H]1CCC[C@@H]1COC(C)=O
InChIInChI=1S/C10H18O2/c1-3-9-5-4-6-10(9)7-12-8(2)11/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyQPJMDBQBWRHGKS-VHSXEESVSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About [(1S,2S)-2-ethylcyclopentyl]methyl acetate

[(1S,2S)-2-ethylcyclopentyl]methyl acetate (PubChem CID 91697713) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1S,2S)-2-ethylcyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1S,2S)-2-ethylcyclopentyl]methyl acetate
PubChem CID91697713
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1S,2S)-2-ethylcyclopentyl]methyl acetate
SMILESCC[C@H]1CCC[C@@H]1COC(C)=O
InChIInChI=1S/C10H18O2/c1-3-9-5-4-6-10(9)7-12-8(2)11/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyQPJMDBQBWRHGKS-VHSXEESVSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
CID 10986511
(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
CID 70464202
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
carbonic acid;1,2-diethylcyclohexane
CID 70579518
cyclopropylmethyl acetate
CID 538333
1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
(3-ethyl-2-methylcyclohexyl) acetate
CID 146440367
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
[3-[2-(acetyloxymethyl)cyclohexyl]cyclopentyl]methyl acetate
CID 143870010
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethylcyclopentyl]methyl acetate?
The IUPAC name of [(1S,2S)-2-ethylcyclopentyl]methyl acetate (CID 91697713) is [(1S,2S)-2-ethylcyclopentyl]methyl acetate.
What is the SMILES notation for [(1S,2S)-2-ethylcyclopentyl]methyl acetate?
The canonical SMILES for [(1S,2S)-2-ethylcyclopentyl]methyl acetate is CC[C@H]1CCC[C@@H]1COC(C)=O.
What is the InChIKey of [(1S,2S)-2-ethylcyclopentyl]methyl acetate?
The InChIKey is QPJMDBQBWRHGKS-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9-5-4-6-10(9)7-12-8(2)11/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of [(1S,2S)-2-ethylcyclopentyl]methyl acetate?
[(1S,2S)-2-ethylcyclopentyl]methyl acetate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethylcyclopentyl]methyl acetate is sourced from PubChem (CID 91697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).