ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate

C10H16O4 — CID 13174427

IUPACethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)C(O)C1CC(C)CC1=O
InChIInChI=1S/C10H16O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyLAKXEZWYSBKEFP-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.53
Rot. Bonds3

About ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate

ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate (PubChem CID 13174427) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate
PubChem CID13174427
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)C(O)C1CC(C)CC1=O
InChIInChI=1S/C10H16O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyLAKXEZWYSBKEFP-UHFFFAOYSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1R,4R)-4-methyl-2-oxocyclohexane-1-carboxylate
CID 854154
ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
CID 101358283
diethyl 2-(2-oxocyclohexyl)butanedioate
CID 6636230
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
2-methylpropyl 3-[4-[4-(2-methylpropoxy)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]butanoate
CID 21284036
diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
cis-(3R,4S)-3-methyl-4-(1-nitroethyl)cyclopentan-1-one;ethyl acetate
CID 70391685
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
ethyl 2-(3-methylcyclopentanecarbonyl)butanoate
CID 65413196
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate (CID 13174427) is ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate is CCOC(=O)C(O)C1CC(C)CC1=O.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate?
The InChIKey is LAKXEZWYSBKEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate?
ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate has a molecular weight of 200.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopentyl)acetate is sourced from PubChem (CID 13174427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).