(Z)-2-hydroxyheptadec-1-ene-1-diazonium

C17H33N2O+ — CID 10956905

IUPAC(Z)-2-hydroxyheptadec-1-ene-1-diazonium
SMILESCCCCCCCCCCCCCCC/C(O)=C/[N+]#N
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-19-18/h16H,2-15H2,1H3/p+1/b17-16-
InChIKeyJMTKDBURRARGBF-MSUUIHNZSA-O
MW281.46 g/mol
LogP6.72
Rot. Bonds14

About (Z)-2-hydroxyheptadec-1-ene-1-diazonium

(Z)-2-hydroxyheptadec-1-ene-1-diazonium (PubChem CID 10956905) has the molecular formula C17H33N2O+ and a molecular weight of 281.46 g/mol. Its IUPAC name is (Z)-2-hydroxyheptadec-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-2-hydroxyheptadec-1-ene-1-diazonium
PubChem CID10956905
Molecular FormulaC17H33N2O+
Molecular Weight281.46 g/mol
Exact Mass281.26
IUPAC Name(Z)-2-hydroxyheptadec-1-ene-1-diazonium
SMILESCCCCCCCCCCCCCCC/C(O)=C/[N+]#N
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-19-18/h16H,2-15H2,1H3/p+1/b17-16-
InChIKeyJMTKDBURRARGBF-MSUUIHNZSA-O
XLogP6.72
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 56.72
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-hydroxyhex-1-ene-1-diazonium
CID 10701839
1-aminoheptacos-1-en-2-ol
CID 140665691
(Z)-pentadec-2-en-3-ol
CID 141060609
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
dodec-1-ene-1,1,2-triol
CID 139766623
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
4-hydroxyicos-3-enoic acid
CID 88697964
(Z)-tetradec-5-en-5-ol
CID 129379563
henicos-1-en-2-ol
CID 90735098
dibutyl-(1-carboxypropyl)-[(Z)-2-hydroxyoct-1-enyl]azanium
CID 101276460

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxyheptadec-1-ene-1-diazonium?
The IUPAC name of (Z)-2-hydroxyheptadec-1-ene-1-diazonium (CID 10956905) is (Z)-2-hydroxyheptadec-1-ene-1-diazonium.
What is the SMILES notation for (Z)-2-hydroxyheptadec-1-ene-1-diazonium?
The canonical SMILES for (Z)-2-hydroxyheptadec-1-ene-1-diazonium is CCCCCCCCCCCCCCC/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-2-hydroxyheptadec-1-ene-1-diazonium?
The InChIKey is JMTKDBURRARGBF-MSUUIHNZSA-O. The full InChI is InChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)16-19-18/h16H,2-15H2,1H3/p+1/b17-16-.
What are the key properties of (Z)-2-hydroxyheptadec-1-ene-1-diazonium?
(Z)-2-hydroxyheptadec-1-ene-1-diazonium has a molecular weight of 281.46 g/mol, XLogP of 6.72, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxyheptadec-1-ene-1-diazonium is sourced from PubChem (CID 10956905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).