ethyl 1-acetylcyclopentane-1-carboxylate

C10H16O3 — CID 13050135

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

About ethyl 1-acetylcyclopentane-1-carboxylate

ethyl 1-acetylcyclopentane-1-carboxylate (PubChem CID 13050135) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 1-acetylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetylcyclopentane-1-carboxylate
PubChem CID13050135
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 1-acetylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C(C)=O)CCCC1
InChIInChI=1S/C10H16O3/c1-3-13-9(12)10(8(2)11)6-4-5-7-10/h3-7H2,1-2H3
InChIKeyPOZMOHUCPZIZCS-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-acetylcyclopentane-1-carboxylate (CID 13050135) is ethyl 1-acetylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-acetylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-acetylcyclopentane-1-carboxylate is CCOC(=O)C1(C(C)=O)CCCC1.
What is the InChIKey of ethyl 1-acetylcyclopentane-1-carboxylate?
The InChIKey is POZMOHUCPZIZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-13-9(12)10(8(2)11)6-4-5-7-10/h3-7H2,1-2H3.
What are the key properties of ethyl 1-acetylcyclopentane-1-carboxylate?
ethyl 1-acetylcyclopentane-1-carboxylate 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 1-acetylcyclopentane-1-carboxylate is sourced from PubChem (CID 13050135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).