ethyl 2-(1-methylcyclopentyl)-2-oxoacetate

C10H16O3 — CID 170947552

IUPACethyl 2-(1-methylcyclopentyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1(C)CCCC1
InChIInChI=1S/C10H16O3/c1-3-13-9(12)8(11)10(2)6-4-5-7-10/h3-7H2,1-2H3
InChIKeyZFGILXRMHHKITI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About ethyl 2-(1-methylcyclopentyl)-2-oxoacetate

ethyl 2-(1-methylcyclopentyl)-2-oxoacetate (PubChem CID 170947552) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-(1-methylcyclopentyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(1-methylcyclopentyl)-2-oxoacetate
PubChem CID170947552
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-(1-methylcyclopentyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1(C)CCCC1
InChIInChI=1S/C10H16O3/c1-3-13-9(12)8(11)10(2)6-4-5-7-10/h3-7H2,1-2H3
InChIKeyZFGILXRMHHKITI-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylcyclopentyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(1-methylcyclopentyl)-2-oxoacetate (CID 170947552) is ethyl 2-(1-methylcyclopentyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(1-methylcyclopentyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(1-methylcyclopentyl)-2-oxoacetate is CCOC(=O)C(=O)C1(C)CCCC1.
What is the InChIKey of ethyl 2-(1-methylcyclopentyl)-2-oxoacetate?
The InChIKey is ZFGILXRMHHKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-13-9(12)8(11)10(2)6-4-5-7-10/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(1-methylcyclopentyl)-2-oxoacetate?
ethyl 2-(1-methylcyclopentyl)-2-oxoacetate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylcyclopentyl)-2-oxoacetate is sourced from PubChem (CID 170947552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).