sodium;hydride;octadecyl hexadecanoate

C34H69NaO2 — CID 174467496

IUPACsodium;hydride;octadecyl hexadecanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C34H68O2.Na.H/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;;/q;+1;-1
InChIKeyXEYAMKWWRLXXST-UHFFFAOYSA-N
MW532.91 g/mol
LogP9.39
Rot. Bonds31

About sodium;hydride;octadecyl hexadecanoate

sodium;hydride;octadecyl hexadecanoate (PubChem CID 174467496) has the molecular formula C34H69NaO2 and a molecular weight of 532.91 g/mol. Its IUPAC name is sodium;hydride;octadecyl hexadecanoate.

Molecular Properties

Compound Namesodium;hydride;octadecyl hexadecanoate
PubChem CID174467496
Molecular FormulaC34H69NaO2
Molecular Weight532.91 g/mol
Exact Mass532.52
IUPAC Namesodium;hydride;octadecyl hexadecanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C34H68O2.Na.H/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;;/q;+1;-1
InChIKeyXEYAMKWWRLXXST-UHFFFAOYSA-N
XLogP9.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.91
LogP ≤ 59.39
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

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octadecyl hexadecanoate?
The IUPAC name of sodium;hydride;octadecyl hexadecanoate (CID 174467496) is sodium;hydride;octadecyl hexadecanoate.
What is the SMILES notation for sodium;hydride;octadecyl hexadecanoate?
The canonical SMILES for sodium;hydride;octadecyl hexadecanoate is CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;hydride;octadecyl hexadecanoate?
The InChIKey is XEYAMKWWRLXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O2.Na.H/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;octadecyl hexadecanoate?
sodium;hydride;octadecyl hexadecanoate has a molecular weight of 532.91 g/mol, XLogP of 9.39, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octadecyl hexadecanoate is sourced from PubChem (CID 174467496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).