disodium;hexadecanoic acid;hydride;hydrate

C16H36Na2O3 — CID 174056425

IUPACdisodium;hexadecanoic acid;hydride;hydrate
SMILESCCCCCCCCCCCCCCCC(=O)O.O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32O2.2Na.H2O.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;;/h2-15H2,1H3,(H,17,18);;;1H2;;/q;2*+1;;2*-1
InChIKeyUTOSTLBASAHSPO-UHFFFAOYSA-N
MW322.44 g/mol
LogP-1.04
Rot. Bonds14

About disodium;hexadecanoic acid;hydride;hydrate

disodium;hexadecanoic acid;hydride;hydrate (PubChem CID 174056425) has the molecular formula C16H36Na2O3 and a molecular weight of 322.44 g/mol. Its IUPAC name is disodium;hexadecanoic acid;hydride;hydrate.

Molecular Properties

Compound Namedisodium;hexadecanoic acid;hydride;hydrate
PubChem CID174056425
Molecular FormulaC16H36Na2O3
Molecular Weight322.44 g/mol
Exact Mass322.25
IUPAC Namedisodium;hexadecanoic acid;hydride;hydrate
SMILESCCCCCCCCCCCCCCCC(=O)O.O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32O2.2Na.H2O.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;;/h2-15H2,1H3,(H,17,18);;;1H2;;/q;2*+1;;2*-1
InChIKeyUTOSTLBASAHSPO-UHFFFAOYSA-N
XLogP-1.04
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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disodium;hydride;tetradecanoic acid
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disodium;hydride;icosanoic acid
CID 175560905
sodium;dodecanoic acid;hydride
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sodium;hydride;octanoic acid;selane
CID 174677652
octadecanoic acid;hydrate
CID 86588300
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;tritriacontanoic acid
CID 173321714
CID 6335315
CID 6335315
octadecanoic acid;titanium;trihydrate
CID 153488689
CID 6328046
CID 6328046
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227

Frequently Asked Questions

What is the IUPAC name of disodium;hexadecanoic acid;hydride;hydrate?
The IUPAC name of disodium;hexadecanoic acid;hydride;hydrate (CID 174056425) is disodium;hexadecanoic acid;hydride;hydrate.
What is the SMILES notation for disodium;hexadecanoic acid;hydride;hydrate?
The canonical SMILES for disodium;hexadecanoic acid;hydride;hydrate is CCCCCCCCCCCCCCCC(=O)O.O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hexadecanoic acid;hydride;hydrate?
The InChIKey is UTOSTLBASAHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.2Na.H2O.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;;;/h2-15H2,1H3,(H,17,18);;;1H2;;/q;2*+1;;2*-1.
What are the key properties of disodium;hexadecanoic acid;hydride;hydrate?
disodium;hexadecanoic acid;hydride;hydrate has a molecular weight of 322.44 g/mol, XLogP of -1.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hexadecanoic acid;hydride;hydrate is sourced from PubChem (CID 174056425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).