[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten

C21H44NO2W- — CID 177221584

IUPAC[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten
SMILESCC/C=C(/O)CCCCCCCCCCCCCCCC[NH-].CO.[W]
InChIInChI=1S/C20H40NO.CH4O.W/c1-2-17-20(22)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21;1-2;/h17,21-22H,2-16,18-19H2,1H3;2H,1H3;/q-1;;/b20-17+;;
InChIKeyXHVVCQIKPWGUAH-NNIZZXHBSA-N
MW526.43 g/mol
LogP7.35
Rot. Bonds17

About [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten

[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten (PubChem CID 177221584) has the molecular formula C21H44NO2W- and a molecular weight of 526.43 g/mol. Its IUPAC name is [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten.

Molecular Properties

Compound Name[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten
PubChem CID177221584
Molecular FormulaC21H44NO2W-
Molecular Weight526.43 g/mol
Exact Mass526.29
IUPAC Name[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten
SMILESCC/C=C(/O)CCCCCCCCCCCCCCCC[NH-].CO.[W]
InChIInChI=1S/C20H40NO.CH4O.W/c1-2-17-20(22)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21;1-2;/h17,21-22H,2-16,18-19H2,1H3;2H,1H3;/q-1;;/b20-17+;;
InChIKeyXHVVCQIKPWGUAH-NNIZZXHBSA-N
XLogP7.35
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.43
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3Z)-hexadeca-3,15-dien-4-ol
CID 154698399
(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265
(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid
CID 131839811
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
4-hydroxyicos-3-enoic acid
CID 88697964
(Z)-tetradec-5-en-5-ol
CID 129379563
9-hydroxyoctadeca-9,12,15-trienoic acid
CID 163187375
(Z)-pentadec-2-en-3-ol
CID 141060609
sodium 4-hydroxyhept-4-enoate
CID 88698086
4-hydroxynon-3-enoic acid
CID 74031263
4-methylheptadec-3-ene
CID 59169426

Frequently Asked Questions

What is the IUPAC name of [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten?
The IUPAC name of [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten (CID 177221584) is [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten.
What is the SMILES notation for [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten?
The canonical SMILES for [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten is CC/C=C(/O)CCCCCCCCCCCCCCCC[NH-].CO.[W].
What is the InChIKey of [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten?
The InChIKey is XHVVCQIKPWGUAH-NNIZZXHBSA-N. The full InChI is InChI=1S/C20H40NO.CH4O.W/c1-2-17-20(22)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21;1-2;/h17,21-22H,2-16,18-19H2,1H3;2H,1H3;/q-1;;/b20-17+;;.
What are the key properties of [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten?
[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten has a molecular weight of 526.43 g/mol, XLogP of 7.35, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten is sourced from PubChem (CID 177221584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).