methyl 2-cyclohexyl-2-hydroxyiminoacetate

C9H15NO3 — CID 73185455

IUPACmethyl 2-cyclohexyl-2-hydroxyiminoacetate
SMILESCOC(=O)C(=NO)C1CCCCC1
InChIInChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3
InChIKeyKMTGXMAPGNUCPK-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.57
Rot. Bonds2

About methyl 2-cyclohexyl-2-hydroxyiminoacetate

methyl 2-cyclohexyl-2-hydroxyiminoacetate (PubChem CID 73185455) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-hydroxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-hydroxyiminoacetate
PubChem CID73185455
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-cyclohexyl-2-hydroxyiminoacetate
SMILESCOC(=O)C(=NO)C1CCCCC1
InChIInChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3
InChIKeyKMTGXMAPGNUCPK-UHFFFAOYSA-N
XLogP1.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 methyl 2-cyclohexyl-2-hydroxyiminoacetate?
The IUPAC name of methyl 2-cyclohexyl-2-hydroxyiminoacetate (CID 73185455) is methyl 2-cyclohexyl-2-hydroxyiminoacetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-hydroxyiminoacetate?
The canonical SMILES for methyl 2-cyclohexyl-2-hydroxyiminoacetate is COC(=O)C(=NO)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-hydroxyiminoacetate?
The InChIKey is KMTGXMAPGNUCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-hydroxyiminoacetate?
methyl 2-cyclohexyl-2-hydroxyiminoacetate has a molecular weight of 185.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-hydroxyiminoacetate is sourced from PubChem (CID 73185455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).