[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane

C23H54O12P2Si2 — CID 89468719

IUPAC[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
SMILESCCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(P(=O)(OC)OC)P(=O)(OC)OC)(OCC)OCC
InChIInChI=1S/C23H54O12P2Si2/c1-11-30-38(31-12-2,32-13-3)21-17-19-23(36(24,26-7)27-8,37(25,28-9)29-10)20-18-22-39(33-14-4,34-15-5)35-16-6/h11-22H2,1-10H3
InChIKeyGQZYOUXKDOGATD-UHFFFAOYSA-N
MW640.79 g/mol
LogP6.31
Rot. Bonds26

About [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane

[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane (PubChem CID 89468719) has the molecular formula C23H54O12P2Si2 and a molecular weight of 640.79 g/mol. Its IUPAC name is [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane.

Molecular Properties

Compound Name[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
PubChem CID89468719
Molecular FormulaC23H54O12P2Si2
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
SMILESCCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(P(=O)(OC)OC)P(=O)(OC)OC)(OCC)OCC
InChIInChI=1S/C23H54O12P2Si2/c1-11-30-38(31-12-2,32-13-3)21-17-19-23(36(24,26-7)27-8,37(25,28-9)29-10)20-18-22-39(33-14-4,34-15-5)35-16-6/h11-22H2,1-10H3
InChIKeyGQZYOUXKDOGATD-UHFFFAOYSA-N
XLogP6.31
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
triethoxy(3-methoxypropyl)silane
CID 22712922
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718
[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane
CID 141360578
butyl(triethoxy)silane;methanethioic S-acid
CID 175031462
diethoxy-methoxy-(4,4,4-triethoxybutyl)silane
CID 54545002
butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
CID 87842087
2-dimethylphosphorylethyl(triethoxy)silane
CID 141433180
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998

Frequently Asked Questions

What is the IUPAC name of [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane?
The IUPAC name of [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane (CID 89468719) is [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane.
What is the SMILES notation for [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane?
The canonical SMILES for [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane is CCO[Si](CCCC(CCC[Si](OCC)(OCC)OCC)(P(=O)(OC)OC)P(=O)(OC)OC)(OCC)OCC.
What is the InChIKey of [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane?
The InChIKey is GQZYOUXKDOGATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O12P2Si2/c1-11-30-38(31-12-2,32-13-3)21-17-19-23(36(24,26-7)27-8,37(25,28-9)29-10)20-18-22-39(33-14-4,34-15-5)35-16-6/h11-22H2,1-10H3.
What are the key properties of [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane?
[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane has a molecular weight of 640.79 g/mol, XLogP of 6.31, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane is sourced from PubChem (CID 89468719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).