(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol

C16H33NO2 — CID 5361049

IUPAC(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC(CC)/C(=N/O)C(O)C(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15-
InChIKeySLCANKHLTWZHRV-ICFOKQHNSA-N
MW271.44 g/mol
LogP4.61
Rot. Bonds11

About (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol

(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol (PubChem CID 5361049) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol.

Molecular Properties

Compound Name(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol
PubChem CID5361049
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC(CC)/C(=N/O)C(O)C(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15-
InChIKeySLCANKHLTWZHRV-ICFOKQHNSA-N
XLogP4.61
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.61
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'}

Analyze (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The IUPAC name of (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol (CID 5361049) is (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol.
What is the SMILES notation for (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The canonical SMILES for (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol is CCCCC(CC)/C(=N/O)C(O)C(CC)CCCC.
What is the InChIKey of (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The InChIKey is SLCANKHLTWZHRV-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15-.
What are the key properties of (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol has a molecular weight of 271.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol is sourced from PubChem (CID 5361049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).