8-(hydroxyiminomethyl)heptadecan-9-ol

C18H37NO2 — CID 72738448

IUPAC8-(hydroxyiminomethyl)heptadecan-9-ol
SMILESCCCCCCCCC(O)C(C=NO)CCCCCCC
InChIInChI=1S/C18H37NO2/c1-3-5-7-9-11-13-15-18(20)17(16-19-21)14-12-10-8-6-4-2/h16-18,20-21H,3-15H2,1-2H3
InChIKeyNFAOJKIIEPVGQA-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.53
Rot. Bonds15

About 8-(hydroxyiminomethyl)heptadecan-9-ol

8-(hydroxyiminomethyl)heptadecan-9-ol (PubChem CID 72738448) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 8-(hydroxyiminomethyl)heptadecan-9-ol.

Molecular Properties

Compound Name8-(hydroxyiminomethyl)heptadecan-9-ol
PubChem CID72738448
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name8-(hydroxyiminomethyl)heptadecan-9-ol
SMILESCCCCCCCCC(O)C(C=NO)CCCCCCC
InChIInChI=1S/C18H37NO2/c1-3-5-7-9-11-13-15-18(20)17(16-19-21)14-12-10-8-6-4-2/h16-18,20-21H,3-15H2,1-2H3
InChIKeyNFAOJKIIEPVGQA-UHFFFAOYSA-N
XLogP5.53
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
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 8-(hydroxyiminomethyl)heptadecan-9-ol?
The IUPAC name of 8-(hydroxyiminomethyl)heptadecan-9-ol (CID 72738448) is 8-(hydroxyiminomethyl)heptadecan-9-ol.
What is the SMILES notation for 8-(hydroxyiminomethyl)heptadecan-9-ol?
The canonical SMILES for 8-(hydroxyiminomethyl)heptadecan-9-ol is CCCCCCCCC(O)C(C=NO)CCCCCCC.
What is the InChIKey of 8-(hydroxyiminomethyl)heptadecan-9-ol?
The InChIKey is NFAOJKIIEPVGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-5-7-9-11-13-15-18(20)17(16-19-21)14-12-10-8-6-4-2/h16-18,20-21H,3-15H2,1-2H3.
What are the key properties of 8-(hydroxyiminomethyl)heptadecan-9-ol?
8-(hydroxyiminomethyl)heptadecan-9-ol has a molecular weight of 299.50 g/mol, XLogP of 5.53, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxyiminomethyl)heptadecan-9-ol is sourced from PubChem (CID 72738448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).