sodium;2-dodecanoyloxyethyl octadecanoate;hydride

C32H63NaO4 — CID 174887882

IUPACsodium;2-dodecanoyloxyethyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C32H62O4.Na.H/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(34)36-30-29-35-31(33)27-25-23-21-19-12-10-8-6-4-2;;/h3-30H2,1-2H3;;/q;+1;-1
InChIKeyIOXOXEVDMJGCKW-UHFFFAOYSA-N
MW534.84 g/mol
LogP7.37
Rot. Bonds29

About sodium;2-dodecanoyloxyethyl octadecanoate;hydride

sodium;2-dodecanoyloxyethyl octadecanoate;hydride (PubChem CID 174887882) has the molecular formula C32H63NaO4 and a molecular weight of 534.84 g/mol. Its IUPAC name is sodium;2-dodecanoyloxyethyl octadecanoate;hydride.

Molecular Properties

Compound Namesodium;2-dodecanoyloxyethyl octadecanoate;hydride
PubChem CID174887882
Molecular FormulaC32H63NaO4
Molecular Weight534.84 g/mol
Exact Mass534.46
IUPAC Namesodium;2-dodecanoyloxyethyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C32H62O4.Na.H/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(34)36-30-29-35-31(33)27-25-23-21-19-12-10-8-6-4-2;;/h3-30H2,1-2H3;;/q;+1;-1
InChIKeyIOXOXEVDMJGCKW-UHFFFAOYSA-N
XLogP7.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.84
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
sodium;hydride;octadecyl hexadecanoate
CID 174467496
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
2-methoxyethyl octanoate
CID 14009347
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
hexadecyl nonanoate
CID 23372338
1-O-pentyl 6-O-tetradecyl hexanedioate
CID 91713904

Frequently Asked Questions

What is the IUPAC name of sodium;2-dodecanoyloxyethyl octadecanoate;hydride?
The IUPAC name of sodium;2-dodecanoyloxyethyl octadecanoate;hydride (CID 174887882) is sodium;2-dodecanoyloxyethyl octadecanoate;hydride.
What is the SMILES notation for sodium;2-dodecanoyloxyethyl octadecanoate;hydride?
The canonical SMILES for sodium;2-dodecanoyloxyethyl octadecanoate;hydride is CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;2-dodecanoyloxyethyl octadecanoate;hydride?
The InChIKey is IOXOXEVDMJGCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O4.Na.H/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(34)36-30-29-35-31(33)27-25-23-21-19-12-10-8-6-4-2;;/h3-30H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;2-dodecanoyloxyethyl octadecanoate;hydride?
sodium;2-dodecanoyloxyethyl octadecanoate;hydride has a molecular weight of 534.84 g/mol, XLogP of 7.37, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-dodecanoyloxyethyl octadecanoate;hydride is sourced from PubChem (CID 174887882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).