[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate

C15H24O5 — CID 14411692

IUPAC[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate
SMILESCCC1(CCC(=O)CC(C)O)C(=O)CCC1OC(C)=O
InChIInChI=1S/C15H24O5/c1-4-15(8-7-12(18)9-10(2)16)13(19)5-6-14(15)20-11(3)17/h10,14,16H,4-9H2,1-3H3
InChIKeyGEYJOBLMVMQKBW-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.80
Rot. Bonds7

About [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate

[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate (PubChem CID 14411692) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate.

Molecular Properties

Compound Name[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate
PubChem CID14411692
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate
SMILESCCC1(CCC(=O)CC(C)O)C(=O)CCC1OC(C)=O
InChIInChI=1S/C15H24O5/c1-4-15(8-7-12(18)9-10(2)16)13(19)5-6-14(15)20-11(3)17/h10,14,16H,4-9H2,1-3H3
InChIKeyGEYJOBLMVMQKBW-UHFFFAOYSA-N
XLogP1.80
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R,4S,6R)-2-acetyloxy-3,4,5,6-tetrakis(3-methylbutanoyloxy)cyclohexyl] 3-methylbutanoate
CID 11834749
[(2S,4aS,10aS)-7-acetyloxy-1,1,4a-trimethyl-4-oxo-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-2-yl] acetate
CID 10386276
[(1S,2S,4R)-1-methyl-6-oxo-2-bicyclo[2.2.2]octanyl] acetate
CID 11298521
(4-ethyl-4-propan-2-ylcyclohexyl) acetate
CID 146244844
methyl (4R)-4-[(3R,3aR,4S,6R)-4-acetyloxy-6-but-3-ynyl-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]pentanoate
CID 170908044
[(2E)-2-[(6R)-6-acetyloxy-7-(5-hydroxy-4,8-dimethylnon-8-enyl)-7-methyloxepan-3-ylidene]ethyl] acetate
CID 70581373
[(1R,4S,4aR,8aS)-4a-hydroxy-4,8a-dimethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl] acetate
CID 11957939
cis-(2R,3S)-2-methyl-3-[(1S)-1-(3-methylbutoxy)ethyl]-2-(3-oxobutyl)cyclopentan-1-one
CID 11076912
(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) acetate
CID 13033871
[(1S,8aS)-8a-methyl-6-oxo-5-(3-oxobutyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl] acetate
CID 70624213
(3a,7,7-trimethyl-4,5,6,7a-tetrahydrobenzotrioxol-4-yl) acetate
CID 10799464
[(2S)-2-[(1R,3aR,7aR)-3a,7a-dimethyl-4-oxo-1,2,3,5,6,7-hexahydroinden-1-yl]propyl] acetate
CID 78357896

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate?
The IUPAC name of [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate (CID 14411692) is [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate.
What is the SMILES notation for [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate?
The canonical SMILES for [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate is CCC1(CCC(=O)CC(C)O)C(=O)CCC1OC(C)=O.
What is the InChIKey of [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate?
The InChIKey is GEYJOBLMVMQKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-15(8-7-12(18)9-10(2)16)13(19)5-6-14(15)20-11(3)17/h10,14,16H,4-9H2,1-3H3.
What are the key properties of [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate?
[2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate has a molecular weight of 284.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(5-hydroxy-3-oxohexyl)-3-oxocyclopentyl] acetate is sourced from PubChem (CID 14411692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).