1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol

C12H21NO2 — CID 121008865

IUPAC1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol
SMILESO/N=C1/CCCCC1C1(O)CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(8-4-1-5-9-12)10-6-2-3-7-11(10)13-15/h10,14-15H,1-9H2/b13-11-
InChIKeyQRAAXPQHTYMYIT-QBFSEMIESA-N
MW211.30 g/mol
LogP2.70
Rot. Bonds1

About 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol

1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol (PubChem CID 121008865) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol
PubChem CID121008865
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol
SMILESO/N=C1/CCCCC1C1(O)CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(8-4-1-5-9-12)10-6-2-3-7-11(10)13-15/h10,14-15H,1-9H2/b13-11-
InChIKeyQRAAXPQHTYMYIT-QBFSEMIESA-N
XLogP2.70
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol (CID 121008865) is 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol is O/N=C1/CCCCC1C1(O)CCCCC1.
What is the InChIKey of 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol?
The InChIKey is QRAAXPQHTYMYIT-QBFSEMIESA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(8-4-1-5-9-12)10-6-2-3-7-11(10)13-15/h10,14-15H,1-9H2/b13-11-.
What are the key properties of 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol?
1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-hydroxyiminocyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 121008865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).