8-[(E)-hydroxyiminomethyl]heptadecan-9-ol

C18H37NO2 — CID 14671306

IUPAC8-[(E)-hydroxyiminomethyl]heptadecan-9-ol
SMILESCCCCCCCCC(O)C(/C=N/O)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/b19-16+
InChIKeyNFAOJKIIEPVGQA-KNTRCKAVSA-N
MW299.50 g/mol
LogP5.53
Rot. Bonds15

About 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol

8-[(E)-hydroxyiminomethyl]heptadecan-9-ol (PubChem CID 14671306) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol.

Molecular Properties

Compound Name8-[(E)-hydroxyiminomethyl]heptadecan-9-ol
PubChem CID14671306
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name8-[(E)-hydroxyiminomethyl]heptadecan-9-ol
SMILESCCCCCCCCC(O)C(/C=N/O)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/b19-16+
InChIKeyNFAOJKIIEPVGQA-KNTRCKAVSA-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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Related Compounds

6-Dodecanone, 5,8-diethyl-7-hydroxy-, oxime
CID 5361049
5,8-Diethyl-7-hydroxydodecan-6-one oxime
CID 38274
2-(1-Hydroxy-1-methylbutyl)octanal oxime
CID 9555815
5,8-Diethyl-7-hydroxy-6-dodecanonoxime; 5,8-Diethyl-7-hydroxydodecan-6-oxime; 5,8-Diethyl-7-hydroxydodecane-6-oxime; LIX 63
CID 5371503
8-Hydroxyimino-2,6-dimethyloctan-2-ol
CID 251277
(8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol
CID 6313469
3-[(E)-hydroxyiminomethyl]heptan-4-ol
CID 14671305
(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol
CID 22789039
3-(Hydroxyiminomethyl)heptan-4-ol
CID 72738447
8-(Hydroxyiminomethyl)heptadecan-9-ol
CID 72738448
7-(Hydroxyiminomethyl)pentadecan-7-ol
CID 85874773
(6E)-6-hydroxyimino-2-methylheptadecan-4-ol
CID 87233868

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol?
The IUPAC name of 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol (CID 14671306) is 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol.
What is the SMILES notation for 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol?
The canonical SMILES for 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol is CCCCCCCCC(O)C(/C=N/O)CCCCCCC.
What is the InChIKey of 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol?
The InChIKey is NFAOJKIIEPVGQA-KNTRCKAVSA-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/b19-16+.
What are the key properties of 8-[(E)-hydroxyiminomethyl]heptadecan-9-ol?
8-[(E)-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-[(E)-hydroxyiminomethyl]heptadecan-9-ol is sourced from PubChem (CID 14671306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).