sodium;hydride;(Z)-octadec-9-enoic acid

C18H35NaO2 — CID 172995005

IUPACsodium;hydride;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H34O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;+1;-1/b10-9-;;
InChIKeyANXSICDVNCASOZ-XXAVUKJNSA-N
MW306.47 g/mol
LogP3.22
Rot. Bonds15

About sodium;hydride;(Z)-octadec-9-enoic acid

sodium;hydride;(Z)-octadec-9-enoic acid (PubChem CID 172995005) has the molecular formula C18H35NaO2 and a molecular weight of 306.47 g/mol. Its IUPAC name is sodium;hydride;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namesodium;hydride;(Z)-octadec-9-enoic acid
PubChem CID172995005
Molecular FormulaC18H35NaO2
Molecular Weight306.47 g/mol
Exact Mass306.25
IUPAC Namesodium;hydride;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H34O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;+1;-1/b10-9-;;
InChIKeyANXSICDVNCASOZ-XXAVUKJNSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.22
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

sodium;hexadec-9-enoic acid;hydride
CID 172998914
dilithium;hydride;(Z)-octadec-9-enoic acid
CID 174491446
calcium;hexadec-9-enoic acid;hydride
CID 173150925
calcium;(Z)-hexadec-9-enoic acid;hydride
CID 174048732
magnesium;hydride;octadec-9-enoic acid
CID 172995606
potassium;hydride;(Z)-tetracos-15-enoic acid
CID 174974374
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
triacont-6-enoic acid
CID 169276816

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(Z)-octadec-9-enoic acid?
The IUPAC name of sodium;hydride;(Z)-octadec-9-enoic acid (CID 172995005) is sodium;hydride;(Z)-octadec-9-enoic acid.
What is the SMILES notation for sodium;hydride;(Z)-octadec-9-enoic acid?
The canonical SMILES for sodium;hydride;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(Z)-octadec-9-enoic acid?
The InChIKey is ANXSICDVNCASOZ-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H34O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;+1;-1/b10-9-;;.
What are the key properties of sodium;hydride;(Z)-octadec-9-enoic acid?
sodium;hydride;(Z)-octadec-9-enoic acid has a molecular weight of 306.47 g/mol, XLogP of 3.22, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 172995005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).