(6E)-6-hydroxyimino-2-methylheptadecan-4-ol

C18H37NO2 — CID 87233868

IUPAC(6E)-6-hydroxyimino-2-methylheptadecan-4-ol
SMILESCCCCCCCCCCC/C(CC(O)CC(C)C)=N\O
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-17(19-21)15-18(20)14-16(2)3/h16,18,20-21H,4-15H2,1-3H3/b19-17+
InChIKeyHBZYJDYGGWSIKA-HTXNQAPBSA-N
MW299.50 g/mol
LogP5.53
Rot. Bonds14

About (6E)-6-hydroxyimino-2-methylheptadecan-4-ol

(6E)-6-hydroxyimino-2-methylheptadecan-4-ol (PubChem CID 87233868) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is (6E)-6-hydroxyimino-2-methylheptadecan-4-ol.

Molecular Properties

Compound Name(6E)-6-hydroxyimino-2-methylheptadecan-4-ol
PubChem CID87233868
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name(6E)-6-hydroxyimino-2-methylheptadecan-4-ol
SMILESCCCCCCCCCCC/C(CC(O)CC(C)C)=N\O
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-17(19-21)15-18(20)14-16(2)3/h16,18,20-21H,4-15H2,1-3H3/b19-17+
InChIKeyHBZYJDYGGWSIKA-HTXNQAPBSA-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 (6E)-6-hydroxyimino-2-methylheptadecan-4-ol?
The IUPAC name of (6E)-6-hydroxyimino-2-methylheptadecan-4-ol (CID 87233868) is (6E)-6-hydroxyimino-2-methylheptadecan-4-ol.
What is the SMILES notation for (6E)-6-hydroxyimino-2-methylheptadecan-4-ol?
The canonical SMILES for (6E)-6-hydroxyimino-2-methylheptadecan-4-ol is CCCCCCCCCCC/C(CC(O)CC(C)C)=N\O.
What is the InChIKey of (6E)-6-hydroxyimino-2-methylheptadecan-4-ol?
The InChIKey is HBZYJDYGGWSIKA-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-17(19-21)15-18(20)14-16(2)3/h16,18,20-21H,4-15H2,1-3H3/b19-17+.
What are the key properties of (6E)-6-hydroxyimino-2-methylheptadecan-4-ol?
(6E)-6-hydroxyimino-2-methylheptadecan-4-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 (6E)-6-hydroxyimino-2-methylheptadecan-4-ol is sourced from PubChem (CID 87233868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).