bis(2-ethylhexyl) trimethylsilyl phosphate

C19H43O4PSi — CID 21351371

IUPACbis(2-ethylhexyl) trimethylsilyl phosphate
SMILESCCCCC(CC)COP(=O)(OCC(CC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C19H43O4PSi/c1-8-12-14-18(10-3)16-21-24(20,23-25(5,6)7)22-17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3
InChIKeyCGUAGSULNCVUJW-UHFFFAOYSA-N
MW394.61 g/mol
LogP7.41
Rot. Bonds16

About bis(2-ethylhexyl) trimethylsilyl phosphate

bis(2-ethylhexyl) trimethylsilyl phosphate (PubChem CID 21351371) has the molecular formula C19H43O4PSi and a molecular weight of 394.61 g/mol. Its IUPAC name is bis(2-ethylhexyl) trimethylsilyl phosphate.

Molecular Properties

Compound Namebis(2-ethylhexyl) trimethylsilyl phosphate
PubChem CID21351371
Molecular FormulaC19H43O4PSi
Molecular Weight394.61 g/mol
Exact Mass394.27
IUPAC Namebis(2-ethylhexyl) trimethylsilyl phosphate
SMILESCCCCC(CC)COP(=O)(OCC(CC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C19H43O4PSi/c1-8-12-14-18(10-3)16-21-24(20,23-25(5,6)7)22-17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3
InChIKeyCGUAGSULNCVUJW-UHFFFAOYSA-N
XLogP7.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.61
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
bis(2-ethylhexyl) 2-(2-hydroxyethyl)hexyl phosphate
CID 169438347
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
CID 87184341
CID 87184341
CID 131883274
CID 131883274
3-[[disulfanyl(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
CID 173420087
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl) trimethylsilyl phosphate?
The IUPAC name of bis(2-ethylhexyl) trimethylsilyl phosphate (CID 21351371) is bis(2-ethylhexyl) trimethylsilyl phosphate.
What is the SMILES notation for bis(2-ethylhexyl) trimethylsilyl phosphate?
The canonical SMILES for bis(2-ethylhexyl) trimethylsilyl phosphate is CCCCC(CC)COP(=O)(OCC(CC)CCCC)O[Si](C)(C)C.
What is the InChIKey of bis(2-ethylhexyl) trimethylsilyl phosphate?
The InChIKey is CGUAGSULNCVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43O4PSi/c1-8-12-14-18(10-3)16-21-24(20,23-25(5,6)7)22-17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3.
What are the key properties of bis(2-ethylhexyl) trimethylsilyl phosphate?
bis(2-ethylhexyl) trimethylsilyl phosphate has a molecular weight of 394.61 g/mol, XLogP of 7.41, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexyl) trimethylsilyl phosphate is sourced from PubChem (CID 21351371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).