2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane

C25H37O4PSi4 — CID 175559013

IUPAC2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane
SMILESC[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H22O4Si4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12/h1-15H;12H,1-7H3
InChIKeyXHNCOJOHFMVBRD-UHFFFAOYSA-N
MW544.89 g/mol
LogP5.47
Rot. Bonds3

About 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane

2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane (PubChem CID 175559013) has the molecular formula C25H37O4PSi4 and a molecular weight of 544.89 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane
PubChem CID175559013
Molecular FormulaC25H37O4PSi4
Molecular Weight544.89 g/mol
Exact Mass544.15
IUPAC Name2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane
SMILESC[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H22O4Si4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12/h1-15H;12H,1-7H3
InChIKeyXHNCOJOHFMVBRD-UHFFFAOYSA-N
XLogP5.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.89
LogP ≤ 55.47
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

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CID 172730134
tetrakis(triphenylphosphane);dihydrochloride
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silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
palladium;bis(triphenylphosphane)
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tris(triphenylphosphane);trihydrochloride
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tris(triphenylphosphane);hydrobromide
CID 172722268
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane?
The IUPAC name of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane (CID 175559013) is 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane.
What is the SMILES notation for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane?
The canonical SMILES for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane is C[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane?
The InChIKey is XHNCOJOHFMVBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C7H22O4Si4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12/h1-15H;12H,1-7H3.
What are the key properties of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane?
2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane has a molecular weight of 544.89 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;triphenylphosphane is sourced from PubChem (CID 175559013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).