(1E)-1-methoxyiminononadecan-10-ol

C20H41NO2 — CID 167096397

IUPAC(1E)-1-methoxyiminononadecan-10-ol
SMILESCCCCCCCCCC(O)CCCCCCCC/C=N/OC
InChIInChI=1S/C20H41NO2/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21-23-2/h19-20,22H,3-18H2,1-2H3/b21-19+
InChIKeyFEWHCZQZMPLKOT-XUTLUUPISA-N
MW327.55 g/mol
LogP6.24
Rot. Bonds18

About (1E)-1-methoxyiminononadecan-10-ol

(1E)-1-methoxyiminononadecan-10-ol (PubChem CID 167096397) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is (1E)-1-methoxyiminononadecan-10-ol.

Molecular Properties

Compound Name(1E)-1-methoxyiminononadecan-10-ol
PubChem CID167096397
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name(1E)-1-methoxyiminononadecan-10-ol
SMILESCCCCCCCCCC(O)CCCCCCCC/C=N/OC
InChIInChI=1S/C20H41NO2/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21-23-2/h19-20,22H,3-18H2,1-2H3/b21-19+
InChIKeyFEWHCZQZMPLKOT-XUTLUUPISA-N
XLogP6.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octacos-21-en-10-ol
CID 163011476
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of (1E)-1-methoxyiminononadecan-10-ol?
The IUPAC name of (1E)-1-methoxyiminononadecan-10-ol (CID 167096397) is (1E)-1-methoxyiminononadecan-10-ol.
What is the SMILES notation for (1E)-1-methoxyiminononadecan-10-ol?
The canonical SMILES for (1E)-1-methoxyiminononadecan-10-ol is CCCCCCCCCC(O)CCCCCCCC/C=N/OC.
What is the InChIKey of (1E)-1-methoxyiminononadecan-10-ol?
The InChIKey is FEWHCZQZMPLKOT-XUTLUUPISA-N. The full InChI is InChI=1S/C20H41NO2/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21-23-2/h19-20,22H,3-18H2,1-2H3/b21-19+.
What are the key properties of (1E)-1-methoxyiminononadecan-10-ol?
(1E)-1-methoxyiminononadecan-10-ol has a molecular weight of 327.55 g/mol, XLogP of 6.24, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-methoxyiminononadecan-10-ol is sourced from PubChem (CID 167096397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).