14-ethyl-8-hydroxyiminohexadecan-7-ol

C18H37NO2 — CID 88749187

IUPAC14-ethyl-8-hydroxyiminohexadecan-7-ol
SMILESCCCCCCC(O)C(CCCCCC(CC)CC)=NO
InChIInChI=1S/C18H37NO2/c1-4-7-8-12-15-18(20)17(19-21)14-11-9-10-13-16(5-2)6-3/h16,18,20-21H,4-15H2,1-3H3
InChIKeySRFAJWDIRYSISW-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.53
Rot. Bonds14

About 14-ethyl-8-hydroxyiminohexadecan-7-ol

14-ethyl-8-hydroxyiminohexadecan-7-ol (PubChem CID 88749187) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 14-ethyl-8-hydroxyiminohexadecan-7-ol.

Molecular Properties

Compound Name14-ethyl-8-hydroxyiminohexadecan-7-ol
PubChem CID88749187
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name14-ethyl-8-hydroxyiminohexadecan-7-ol
SMILESCCCCCCC(O)C(CCCCCC(CC)CC)=NO
InChIInChI=1S/C18H37NO2/c1-4-7-8-12-15-18(20)17(19-21)14-11-9-10-13-16(5-2)6-3/h16,18,20-21H,4-15H2,1-3H3
InChIKeySRFAJWDIRYSISW-UHFFFAOYSA-N
XLogP5.53
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.53
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 14-ethyl-8-hydroxyiminohexadecan-7-ol?
The IUPAC name of 14-ethyl-8-hydroxyiminohexadecan-7-ol (CID 88749187) is 14-ethyl-8-hydroxyiminohexadecan-7-ol.
What is the SMILES notation for 14-ethyl-8-hydroxyiminohexadecan-7-ol?
The canonical SMILES for 14-ethyl-8-hydroxyiminohexadecan-7-ol is CCCCCCC(O)C(CCCCCC(CC)CC)=NO.
What is the InChIKey of 14-ethyl-8-hydroxyiminohexadecan-7-ol?
The InChIKey is SRFAJWDIRYSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-8-12-15-18(20)17(19-21)14-11-9-10-13-16(5-2)6-3/h16,18,20-21H,4-15H2,1-3H3.
What are the key properties of 14-ethyl-8-hydroxyiminohexadecan-7-ol?
14-ethyl-8-hydroxyiminohexadecan-7-ol has a molecular weight of 299.50 g/mol, XLogP of 5.53, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-8-hydroxyiminohexadecan-7-ol is sourced from PubChem (CID 88749187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).