sodium;carboxy octadecanoate;hydride

C19H37NaO4 — CID 174446369

IUPACsodium;carboxy octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H36O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyRVAPCYDWVPAIEZ-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.59
Rot. Bonds16

About sodium;carboxy octadecanoate;hydride

sodium;carboxy octadecanoate;hydride (PubChem CID 174446369) has the molecular formula C19H37NaO4 and a molecular weight of 352.49 g/mol. Its IUPAC name is sodium;carboxy octadecanoate;hydride.

Molecular Properties

Compound Namesodium;carboxy octadecanoate;hydride
PubChem CID174446369
Molecular FormulaC19H37NaO4
Molecular Weight352.49 g/mol
Exact Mass352.26
IUPAC Namesodium;carboxy octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H36O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyRVAPCYDWVPAIEZ-UHFFFAOYSA-N
XLogP3.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

azane;carboxy octadecanoate
CID 174916170
sodium;hydride;octanoyl octadecanoate
CID 173299765
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
acetic acid;octadecanoyl octadecanoate
CID 174501345
dodecanoyl dodecanoate;sulfane
CID 174888621

Frequently Asked Questions

What is the IUPAC name of sodium;carboxy octadecanoate;hydride?
The IUPAC name of sodium;carboxy octadecanoate;hydride (CID 174446369) is sodium;carboxy octadecanoate;hydride.
What is the SMILES notation for sodium;carboxy octadecanoate;hydride?
The canonical SMILES for sodium;carboxy octadecanoate;hydride is CCCCCCCCCCCCCCCCCC(=O)OC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;carboxy octadecanoate;hydride?
The InChIKey is RVAPCYDWVPAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;carboxy octadecanoate;hydride?
sodium;carboxy octadecanoate;hydride has a molecular weight of 352.49 g/mol, XLogP of 3.59, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carboxy octadecanoate;hydride is sourced from PubChem (CID 174446369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).