ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate

C11H19NO3 — CID 125476524

IUPACethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@]1(C)CCCC/C1=N/OC
InChIInChI=1S/C11H19NO3/c1-4-15-10(13)11(2)8-6-5-7-9(11)12-14-3/h4-8H2,1-3H3/b12-9-/t11-/m0/s1
InChIKeyHFNOXCPPBOOPOJ-AWPPVZKDSA-N
MW213.28 g/mol
LogP2.13
Rot. Bonds3

About ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate

ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate (PubChem CID 125476524) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate
PubChem CID125476524
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@]1(C)CCCC/C1=N/OC
InChIInChI=1S/C11H19NO3/c1-4-15-10(13)11(2)8-6-5-7-9(11)12-14-3/h4-8H2,1-3H3/b12-9-/t11-/m0/s1
InChIKeyHFNOXCPPBOOPOJ-AWPPVZKDSA-N
XLogP2.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 1-methyl-2-oxocycloheptane-1-carboxylate
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CID 11439046
ethyl 1-[(E)-4-(1-ethoxycarbonyl-2-oxocycloheptyl)but-2-enyl]-2-oxocycloheptane-1-carboxylate
CID 11154373
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
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ethyl (1R)-1-chloro-2-oxocycloheptane-1-carboxylate
CID 101375354

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate (CID 125476524) is ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate is CCOC(=O)[C@@]1(C)CCCC/C1=N/OC.
What is the InChIKey of ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate?
The InChIKey is HFNOXCPPBOOPOJ-AWPPVZKDSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-10(13)11(2)8-6-5-7-9(11)12-14-3/h4-8H2,1-3H3/b12-9-/t11-/m0/s1.
What are the key properties of ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate?
ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 125476524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).