2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride

C7H14ClNO3 — CID 71387372

IUPAC2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride
SMILESCOC1(O)CCCCC1=NO.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(9)5-3-2-4-6(7)8-10;/h9-10H,2-5H2,1H3;1H
InChIKeyREZLRPYILFZRBL-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.15
Rot. Bonds1

About 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride

2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride (PubChem CID 71387372) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride
PubChem CID71387372
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride
SMILESCOC1(O)CCCCC1=NO.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(9)5-3-2-4-6(7)8-10;/h9-10H,2-5H2,1H3;1H
InChIKeyREZLRPYILFZRBL-UHFFFAOYSA-N
XLogP1.15
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride?
The IUPAC name of 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride (CID 71387372) is 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride?
The canonical SMILES for 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride is COC1(O)CCCCC1=NO.Cl.
What is the InChIKey of 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride?
The InChIKey is REZLRPYILFZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-7(9)5-3-2-4-6(7)8-10;/h9-10H,2-5H2,1H3;1H.
What are the key properties of 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride?
2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-methoxycyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 71387372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).