ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate

C11H18O3 — CID 11769468

IUPACethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1(C)CCC(=O)C1C
InChIInChI=1S/C11H18O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h8H,4-7H2,1-3H3
InChIKeyCDLZHQBVMRKHLF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds3

About ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate

ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate (PubChem CID 11769468) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate
PubChem CID11769468
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate
SMILESCCOC(=O)CC1(C)CCC(=O)C1C
InChIInChI=1S/C11H18O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h8H,4-7H2,1-3H3
InChIKeyCDLZHQBVMRKHLF-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Hedione
CID 102861
Methyl dihydrojasmonate, trans-(-)-
CID 1738124
Methyl hexyl cyclopentanone carboxylate
CID 162249
Propyl 3-oxo-2-pentylcyclopentaneacetate
CID 11184378
Prohydrojasmon
CID 20056433
Cyclopentanecarboxylic acid, 3-oxo-2-pentyl-, methyl ester
CID 11275881
Methyl dihydrojasmonate, (+-)-trans-
CID 1738125
Methyl dihydrojasmonate, cis-(+)-
CID 1738122
Ethyl 1-methyl-4-oxocyclohexanecarboxylate
CID 21911973
Diethyl trans-4-oxocyclopentane-1,2-dicarboxylate
CID 26967534
Methyl 2-[2-(cyclohexylmethyl)-3-oxocyclopentyl]acetate
CID 145994274
rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate
CID 1738127

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate?
The IUPAC name of ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate (CID 11769468) is ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate is CCOC(=O)CC1(C)CCC(=O)C1C.
What is the InChIKey of ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate?
The InChIKey is CDLZHQBVMRKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate?
ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate has a molecular weight of 198.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate is sourced from PubChem (CID 11769468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).