ethyl 4-acetyloxyiminocyclohexane-1-carboxylate

C11H17NO4 — CID 10955296

IUPACethyl 4-acetyloxyiminocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(=NOC(C)=O)CC1
InChIInChI=1S/C11H17NO4/c1-3-15-11(14)9-4-6-10(7-5-9)12-16-8(2)13/h9H,3-7H2,1-2H3/b12-10-
InChIKeyCULXOGDRHABMNQ-BENRWUELSA-N
MW227.26 g/mol
LogP1.66
Rot. Bonds3

About ethyl 4-acetyloxyiminocyclohexane-1-carboxylate

ethyl 4-acetyloxyiminocyclohexane-1-carboxylate (PubChem CID 10955296) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 4-acetyloxyiminocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxyiminocyclohexane-1-carboxylate
PubChem CID10955296
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 4-acetyloxyiminocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(=NOC(C)=O)CC1
InChIInChI=1S/C11H17NO4/c1-3-15-11(14)9-4-6-10(7-5-9)12-16-8(2)13/h9H,3-7H2,1-2H3/b12-10-
InChIKeyCULXOGDRHABMNQ-BENRWUELSA-N
XLogP1.66
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxyiminocyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-acetyloxyiminocyclohexane-1-carboxylate (CID 10955296) is ethyl 4-acetyloxyiminocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxyiminocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-acetyloxyiminocyclohexane-1-carboxylate is CCOC(=O)C1CCC(=NOC(C)=O)CC1.
What is the InChIKey of ethyl 4-acetyloxyiminocyclohexane-1-carboxylate?
The InChIKey is CULXOGDRHABMNQ-BENRWUELSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-15-11(14)9-4-6-10(7-5-9)12-16-8(2)13/h9H,3-7H2,1-2H3/b12-10-.
What are the key properties of ethyl 4-acetyloxyiminocyclohexane-1-carboxylate?
ethyl 4-acetyloxyiminocyclohexane-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxyiminocyclohexane-1-carboxylate is sourced from PubChem (CID 10955296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).