bis(2-trimethylsilylethyl) hydrogen phosphate

C10H27O4PSi2 — CID 87816838

IUPACbis(2-trimethylsilylethyl) hydrogen phosphate
SMILESC[Si](C)(C)CCOP(=O)(O)OCC[Si](C)(C)C
InChIInChI=1S/C10H27O4PSi2/c1-16(2,3)9-7-13-15(11,12)14-8-10-17(4,5)6/h7-10H2,1-6H3,(H,11,12)
InChIKeyBAIOCKARCZFPLM-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds8

About bis(2-trimethylsilylethyl) hydrogen phosphate

bis(2-trimethylsilylethyl) hydrogen phosphate (PubChem CID 87816838) has the molecular formula C10H27O4PSi2 and a molecular weight of 298.47 g/mol. Its IUPAC name is bis(2-trimethylsilylethyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-trimethylsilylethyl) hydrogen phosphate
PubChem CID87816838
Molecular FormulaC10H27O4PSi2
Molecular Weight298.47 g/mol
Exact Mass298.12
IUPAC Namebis(2-trimethylsilylethyl) hydrogen phosphate
SMILESC[Si](C)(C)CCOP(=O)(O)OCC[Si](C)(C)C
InChIInChI=1S/C10H27O4PSi2/c1-16(2,3)9-7-13-15(11,12)14-8-10-17(4,5)6/h7-10H2,1-6H3,(H,11,12)
InChIKeyBAIOCKARCZFPLM-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
2-[chloro(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylsilane
CID 11666839
[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
CID 91424254
dibutyl hydrogen phosphate
CID 158586372
[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate
CID 139986855
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
hexadecyl hexyl hydrogen phosphate
CID 15132676
methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
CID 11724567
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
decyl propyl hydrogen phosphate
CID 87587050

Frequently Asked Questions

What is the IUPAC name of bis(2-trimethylsilylethyl) hydrogen phosphate?
The IUPAC name of bis(2-trimethylsilylethyl) hydrogen phosphate (CID 87816838) is bis(2-trimethylsilylethyl) hydrogen phosphate.
What is the SMILES notation for bis(2-trimethylsilylethyl) hydrogen phosphate?
The canonical SMILES for bis(2-trimethylsilylethyl) hydrogen phosphate is C[Si](C)(C)CCOP(=O)(O)OCC[Si](C)(C)C.
What is the InChIKey of bis(2-trimethylsilylethyl) hydrogen phosphate?
The InChIKey is BAIOCKARCZFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27O4PSi2/c1-16(2,3)9-7-13-15(11,12)14-8-10-17(4,5)6/h7-10H2,1-6H3,(H,11,12).
What are the key properties of bis(2-trimethylsilylethyl) hydrogen phosphate?
bis(2-trimethylsilylethyl) hydrogen phosphate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-trimethylsilylethyl) hydrogen phosphate is sourced from PubChem (CID 87816838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).