ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate

C10H16O4 — CID 57221354

IUPACethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CC(C)CC1=O
InChIInChI=1S/C10H16O4/c1-3-14-9(12)6-10(13)5-7(2)4-8(10)11/h7,13H,3-6H2,1-2H3
InChIKeyVOQJZFWCXVFBAC-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.67
Rot. Bonds3

About ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate

ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate (PubChem CID 57221354) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
PubChem CID57221354
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CC(C)CC1=O
InChIInChI=1S/C10H16O4/c1-3-14-9(12)6-10(13)5-7(2)4-8(10)11/h7,13H,3-6H2,1-2H3
InChIKeyVOQJZFWCXVFBAC-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate?
The IUPAC name of ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate (CID 57221354) is ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate is CCOC(=O)CC1(O)CC(C)CC1=O.
What is the InChIKey of ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate?
The InChIKey is VOQJZFWCXVFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-14-9(12)6-10(13)5-7(2)4-8(10)11/h7,13H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate?
ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate has a molecular weight of 200.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate is sourced from PubChem (CID 57221354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).