ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate

C11H16O4 — CID 14484447

IUPACethyl 6-acetyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CCC1OC(C)=O
InChIInChI=1S/C11H16O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyAFUKURUQYPOHAL-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

About ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate

ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate (PubChem CID 14484447) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyloxycyclohex-3-ene-1-carboxylate
PubChem CID14484447
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 6-acetyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CCC1OC(C)=O
InChIInChI=1S/C11H16O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyAFUKURUQYPOHAL-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate (CID 14484447) is ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=CCC1OC(C)=O.
What is the InChIKey of ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is AFUKURUQYPOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-5,9-10H,3,6-7H2,1-2H3.
What are the key properties of ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate?
ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 14484447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).