disodium;hydride;octadec-9-en-1-ol

C18H38Na2O — CID 173039862

IUPACdisodium;hydride;octadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCO.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C18H36O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10,19H,2-8,11-18H2,1H3;;;;/q;2*+1;2*-1
InChIKeyZKXGEWNXWUKUAR-UHFFFAOYSA-N
MW316.48 g/mol
LogP0.25
Rot. Bonds15

About disodium;hydride;octadec-9-en-1-ol

disodium;hydride;octadec-9-en-1-ol (PubChem CID 173039862) has the molecular formula C18H38Na2O and a molecular weight of 316.48 g/mol. Its IUPAC name is disodium;hydride;octadec-9-en-1-ol.

Molecular Properties

Compound Namedisodium;hydride;octadec-9-en-1-ol
PubChem CID173039862
Molecular FormulaC18H38Na2O
Molecular Weight316.48 g/mol
Exact Mass316.27
IUPAC Namedisodium;hydride;octadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCO.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C18H36O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10,19H,2-8,11-18H2,1H3;;;;/q;2*+1;2*-1
InChIKeyZKXGEWNXWUKUAR-UHFFFAOYSA-N
XLogP0.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
ethanol;octadec-9-en-1-ol
CID 173109565

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;octadec-9-en-1-ol?
The IUPAC name of disodium;hydride;octadec-9-en-1-ol (CID 173039862) is disodium;hydride;octadec-9-en-1-ol.
What is the SMILES notation for disodium;hydride;octadec-9-en-1-ol?
The canonical SMILES for disodium;hydride;octadec-9-en-1-ol is CCCCCCCCC=CCCCCCCCCO.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;octadec-9-en-1-ol?
The InChIKey is ZKXGEWNXWUKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;/h9-10,19H,2-8,11-18H2,1H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;octadec-9-en-1-ol?
disodium;hydride;octadec-9-en-1-ol has a molecular weight of 316.48 g/mol, XLogP of 0.25, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;octadec-9-en-1-ol is sourced from PubChem (CID 173039862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).