[(3R)-3-(2-oxocyclopentyl)butyl] acetate

C11H18O3 — CID 134846660

IUPAC[(3R)-3-(2-oxocyclopentyl)butyl] acetate
SMILESCC(=O)OCC[C@@H](C)C1CCCC1=O
InChIInChI=1S/C11H18O3/c1-8(6-7-14-9(2)12)10-4-3-5-11(10)13/h8,10H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyGLMYAANLEGXKNC-HNHGDDPOSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds4

About [(3R)-3-(2-oxocyclopentyl)butyl] acetate

[(3R)-3-(2-oxocyclopentyl)butyl] acetate (PubChem CID 134846660) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [(3R)-3-(2-oxocyclopentyl)butyl] acetate.

Molecular Properties

Compound Name[(3R)-3-(2-oxocyclopentyl)butyl] acetate
PubChem CID134846660
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[(3R)-3-(2-oxocyclopentyl)butyl] acetate
SMILESCC(=O)OCC[C@@H](C)C1CCCC1=O
InChIInChI=1S/C11H18O3/c1-8(6-7-14-9(2)12)10-4-3-5-11(10)13/h8,10H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyGLMYAANLEGXKNC-HNHGDDPOSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
2-(4-methylpent-4-en-2-yl)cyclopentan-1-one
CID 15103078
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
5-(2-oxocyclopentyl)pentyl acetate
CID 13131530
3-(2-oxocyclohexyl)propyl acetate
CID 12573722
(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
CID 134922520
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate
CID 175016133
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
3-methylbutyl acetate;oxophosphanium
CID 159706016

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-oxocyclopentyl)butyl] acetate?
The IUPAC name of [(3R)-3-(2-oxocyclopentyl)butyl] acetate (CID 134846660) is [(3R)-3-(2-oxocyclopentyl)butyl] acetate.
What is the SMILES notation for [(3R)-3-(2-oxocyclopentyl)butyl] acetate?
The canonical SMILES for [(3R)-3-(2-oxocyclopentyl)butyl] acetate is CC(=O)OCC[C@@H](C)C1CCCC1=O.
What is the InChIKey of [(3R)-3-(2-oxocyclopentyl)butyl] acetate?
The InChIKey is GLMYAANLEGXKNC-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(6-7-14-9(2)12)10-4-3-5-11(10)13/h8,10H,3-7H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of [(3R)-3-(2-oxocyclopentyl)butyl] acetate?
[(3R)-3-(2-oxocyclopentyl)butyl] acetate has a molecular weight of 198.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-oxocyclopentyl)butyl] acetate is sourced from PubChem (CID 134846660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).