4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol

C10H19NO2 — CID 134893716

IUPAC4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol
SMILESOCCCCC1CCCC/C1=N/O
InChIInChI=1S/C10H19NO2/c12-8-4-3-6-9-5-1-2-7-10(9)11-13/h9,12-13H,1-8H2/b11-10-
InChIKeyIBFYXVATSPTGIT-KHPPLWFESA-N
MW185.27 g/mol
LogP2.17
Rot. Bonds4

About 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol

4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol (PubChem CID 134893716) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol.

Molecular Properties

Compound Name4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol
PubChem CID134893716
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol
SMILESOCCCCC1CCCC/C1=N/O
InChIInChI=1S/C10H19NO2/c12-8-4-3-6-9-5-1-2-7-10(9)11-13/h9,12-13H,1-8H2/b11-10-
InChIKeyIBFYXVATSPTGIT-KHPPLWFESA-N
XLogP2.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol?
The IUPAC name of 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol (CID 134893716) is 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol.
What is the SMILES notation for 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol?
The canonical SMILES for 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol is OCCCCC1CCCC/C1=N/O.
What is the InChIKey of 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol?
The InChIKey is IBFYXVATSPTGIT-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-4-3-6-9-5-1-2-7-10(9)11-13/h9,12-13H,1-8H2/b11-10-.
What are the key properties of 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol?
4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-hydroxyiminocyclohexyl]butan-1-ol is sourced from PubChem (CID 134893716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).