(7E)-7-hydroxyiminododecan-6-ol

C12H25NO2 — CID 22755115

IUPAC(7E)-7-hydroxyiminododecan-6-ol
SMILESCCCCC/C(=N\O)C(O)CCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-7-9-11(13-15)12(14)10-8-6-4-2/h12,14-15H,3-10H2,1-2H3/b13-11+
InChIKeyGZFNOYKJWXJKBG-ACCUITESSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds9

About (7E)-7-hydroxyiminododecan-6-ol

(7E)-7-hydroxyiminododecan-6-ol (PubChem CID 22755115) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (7E)-7-hydroxyiminododecan-6-ol.

Molecular Properties

Compound Name(7E)-7-hydroxyiminododecan-6-ol
PubChem CID22755115
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(7E)-7-hydroxyiminododecan-6-ol
SMILESCCCCC/C(=N\O)C(O)CCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-7-9-11(13-15)12(14)10-8-6-4-2/h12,14-15H,3-10H2,1-2H3/b13-11+
InChIKeyGZFNOYKJWXJKBG-ACCUITESSA-N
XLogP3.34
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
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 (7E)-7-hydroxyiminododecan-6-ol?
The IUPAC name of (7E)-7-hydroxyiminododecan-6-ol (CID 22755115) is (7E)-7-hydroxyiminododecan-6-ol.
What is the SMILES notation for (7E)-7-hydroxyiminododecan-6-ol?
The canonical SMILES for (7E)-7-hydroxyiminododecan-6-ol is CCCCC/C(=N\O)C(O)CCCCC.
What is the InChIKey of (7E)-7-hydroxyiminododecan-6-ol?
The InChIKey is GZFNOYKJWXJKBG-ACCUITESSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-7-9-11(13-15)12(14)10-8-6-4-2/h12,14-15H,3-10H2,1-2H3/b13-11+.
What are the key properties of (7E)-7-hydroxyiminododecan-6-ol?
(7E)-7-hydroxyiminododecan-6-ol has a molecular weight of 215.34 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-hydroxyiminododecan-6-ol is sourced from PubChem (CID 22755115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).