3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane

C16H40O3P2Si2 — CID 154021988

IUPAC3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane
SMILESCCC(CCCO[Si](CCCP(C)C)(OC)OC)P[Si](C)(C)C
InChIInChI=1S/C16H40O3P2Si2/c1-9-16(20-22(6,7)8)12-10-13-19-23(17-2,18-3)15-11-14-21(4)5/h16,20H,9-15H2,1-8H3
InChIKeyBCEGNAXUCFHQAE-UHFFFAOYSA-N
MW398.61 g/mol
LogP5.44
Rot. Bonds14

About 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane

3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane (PubChem CID 154021988) has the molecular formula C16H40O3P2Si2 and a molecular weight of 398.61 g/mol. Its IUPAC name is 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane.

Molecular Properties

Compound Name3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane
PubChem CID154021988
Molecular FormulaC16H40O3P2Si2
Molecular Weight398.61 g/mol
Exact Mass398.20
IUPAC Name3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane
SMILESCCC(CCCO[Si](CCCP(C)C)(OC)OC)P[Si](C)(C)C
InChIInChI=1S/C16H40O3P2Si2/c1-9-16(20-22(6,7)8)12-10-13-19-23(17-2,18-3)15-11-14-21(4)5/h16,20H,9-15H2,1-8H3
InChIKeyBCEGNAXUCFHQAE-UHFFFAOYSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylpentan-3-yl(trimethylsilyl)phosphane
CID 140721320
butoxy-butyl-dimethoxysilane
CID 139714527
3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
CID 163213327
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
3-[ethoxy(dimethyl)silyl]propyl-dimethylphosphane
CID 88867742
butyl-(4-isocyanatopentoxy)-dimethoxysilane
CID 175356761
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377
butyl-methoxy-dipropoxysilane
CID 18672915
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane?
The IUPAC name of 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane (CID 154021988) is 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane.
What is the SMILES notation for 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane?
The canonical SMILES for 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane is CCC(CCCO[Si](CCCP(C)C)(OC)OC)P[Si](C)(C)C.
What is the InChIKey of 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane?
The InChIKey is BCEGNAXUCFHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O3P2Si2/c1-9-16(20-22(6,7)8)12-10-13-19-23(17-2,18-3)15-11-14-21(4)5/h16,20H,9-15H2,1-8H3.
What are the key properties of 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane?
3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane has a molecular weight of 398.61 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(4-trimethylsilylphosphanylhexoxy)silyl]propyl-dimethylphosphane is sourced from PubChem (CID 154021988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).