disodium;hexadecanoate;hydride

C16H32Na2O2 — CID 175497394

IUPACdisodium;hexadecanoate;hydride
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32O2.2Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2-15H2,1H3,(H,17,18);;;/q;2*+1;-1/p-1
InChIKeyRATYJBQZWWDFPK-UHFFFAOYSA-M
MW302.41 g/mol
LogP-1.66
Rot. Bonds14

About disodium;hexadecanoate;hydride

disodium;hexadecanoate;hydride (PubChem CID 175497394) has the molecular formula C16H32Na2O2 and a molecular weight of 302.41 g/mol. Its IUPAC name is disodium;hexadecanoate;hydride.

Molecular Properties

Compound Namedisodium;hexadecanoate;hydride
PubChem CID175497394
Molecular FormulaC16H32Na2O2
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Namedisodium;hexadecanoate;hydride
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H32O2.2Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2-15H2,1H3,(H,17,18);;;/q;2*+1;-1/p-1
InChIKeyRATYJBQZWWDFPK-UHFFFAOYSA-M
XLogP-1.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium pentadecanoate
CID 23663638
sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
lithium;sodium;bis(octadecanoate)
CID 159275770
trisodium;octadecanoate;carbonate
CID 162024794
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696

Frequently Asked Questions

What is the IUPAC name of disodium;hexadecanoate;hydride?
The IUPAC name of disodium;hexadecanoate;hydride (CID 175497394) is disodium;hexadecanoate;hydride.
What is the SMILES notation for disodium;hexadecanoate;hydride?
The canonical SMILES for disodium;hexadecanoate;hydride is CCCCCCCCCCCCCCCC(=O)[O-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hexadecanoate;hydride?
The InChIKey is RATYJBQZWWDFPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32O2.2Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2-15H2,1H3,(H,17,18);;;/q;2*+1;-1/p-1.
What are the key properties of disodium;hexadecanoate;hydride?
disodium;hexadecanoate;hydride has a molecular weight of 302.41 g/mol, XLogP of -1.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hexadecanoate;hydride is sourced from PubChem (CID 175497394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).