(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol

C7H13NO3 — CID 45083277

IUPAC(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol
SMILESCOC1(O)CCCC/C1=N/O
InChIInChI=1S/C7H13NO3/c1-11-7(9)5-3-2-4-6(7)8-10/h9-10H,2-5H2,1H3/b8-6-
InChIKeyZMNIUXFOMGMSOJ-VURMDHGXSA-N
MW159.19 g/mol
LogP0.73
Rot. Bonds1

About (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol

(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol (PubChem CID 45083277) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol
PubChem CID45083277
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol
SMILESCOC1(O)CCCC/C1=N/O
InChIInChI=1S/C7H13NO3/c1-11-7(9)5-3-2-4-6(7)8-10/h9-10H,2-5H2,1H3/b8-6-
InChIKeyZMNIUXFOMGMSOJ-VURMDHGXSA-N
XLogP0.73
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.73
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 (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol?
The IUPAC name of (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol (CID 45083277) is (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol.
What is the SMILES notation for (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol?
The canonical SMILES for (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol is COC1(O)CCCC/C1=N/O.
What is the InChIKey of (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol?
The InChIKey is ZMNIUXFOMGMSOJ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(9)5-3-2-4-6(7)8-10/h9-10H,2-5H2,1H3/b8-6-.
What are the key properties of (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol?
(2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol has a molecular weight of 159.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-1-methoxycyclohexan-1-ol is sourced from PubChem (CID 45083277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).