sodium;hexadec-9-enoic acid;hydride

C16H31NaO2 — CID 172998914

IUPACsodium;hexadec-9-enoic acid;hydride
SMILESCCCCCCC=CCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C16H30O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyDFDHAZASMUVPBZ-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.44
Rot. Bonds13

About sodium;hexadec-9-enoic acid;hydride

sodium;hexadec-9-enoic acid;hydride (PubChem CID 172998914) has the molecular formula C16H31NaO2 and a molecular weight of 278.41 g/mol. Its IUPAC name is sodium;hexadec-9-enoic acid;hydride.

Molecular Properties

Compound Namesodium;hexadec-9-enoic acid;hydride
PubChem CID172998914
Molecular FormulaC16H31NaO2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Namesodium;hexadec-9-enoic acid;hydride
SMILESCCCCCCC=CCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C16H30O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyDFDHAZASMUVPBZ-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.44
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;hydride;(Z)-octadec-9-enoic acid
CID 172995005
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
(E)-hexadec-8-enoic acid
CID 6430788

Frequently Asked Questions

What is the IUPAC name of sodium;hexadec-9-enoic acid;hydride?
The IUPAC name of sodium;hexadec-9-enoic acid;hydride (CID 172998914) is sodium;hexadec-9-enoic acid;hydride.
What is the SMILES notation for sodium;hexadec-9-enoic acid;hydride?
The canonical SMILES for sodium;hexadec-9-enoic acid;hydride is CCCCCCC=CCCCCCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hexadec-9-enoic acid;hydride?
The InChIKey is DFDHAZASMUVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hexadec-9-enoic acid;hydride?
sodium;hexadec-9-enoic acid;hydride has a molecular weight of 278.41 g/mol, XLogP of 2.44, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexadec-9-enoic acid;hydride is sourced from PubChem (CID 172998914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).