sodium;ethyl octadecanoate;hydride

C20H41NaO2 — CID 174731148

IUPACsodium;ethyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC.[H-].[Na+]
InChIInChI=1S/C20H40O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;;/h3-19H2,1-2H3;;/q;+1;-1
InChIKeyLMRIOCLUJHFNJI-UHFFFAOYSA-N
MW336.54 g/mol
LogP3.93
Rot. Bonds17

About sodium;ethyl octadecanoate;hydride

sodium;ethyl octadecanoate;hydride (PubChem CID 174731148) has the molecular formula C20H41NaO2 and a molecular weight of 336.54 g/mol. Its IUPAC name is sodium;ethyl octadecanoate;hydride.

Molecular Properties

Compound Namesodium;ethyl octadecanoate;hydride
PubChem CID174731148
Molecular FormulaC20H41NaO2
Molecular Weight336.54 g/mol
Exact Mass336.30
IUPAC Namesodium;ethyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC.[H-].[Na+]
InChIInChI=1S/C20H40O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;;/h3-19H2,1-2H3;;/q;+1;-1
InChIKeyLMRIOCLUJHFNJI-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 53.93
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

pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;gadolinium
CID 174444534

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl octadecanoate;hydride?
The IUPAC name of sodium;ethyl octadecanoate;hydride (CID 174731148) is sodium;ethyl octadecanoate;hydride.
What is the SMILES notation for sodium;ethyl octadecanoate;hydride?
The canonical SMILES for sodium;ethyl octadecanoate;hydride is CCCCCCCCCCCCCCCCCC(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;ethyl octadecanoate;hydride?
The InChIKey is LMRIOCLUJHFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2.Na.H/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;;/h3-19H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;ethyl octadecanoate;hydride?
sodium;ethyl octadecanoate;hydride has a molecular weight of 336.54 g/mol, XLogP of 3.93, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl octadecanoate;hydride is sourced from PubChem (CID 174731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).