[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane

C26H46O2P2Si4 — CID 134912411

IUPAC[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(c2ccccc2)P([Si](C)(C)C)P([Si](C)(C)C)C1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C26H46O2P2Si4/c1-31(2,3)27-25(23-19-15-13-16-20-23)26(28-32(4,5)6,24-21-17-14-18-22-24)30(34(10,11)12)29(25)33(7,8)9/h13-22H,1-12H3
InChIKeyVOAICXXCEDTZMF-UHFFFAOYSA-N
MW564.94 g/mol
LogP9.96
Rot. Bonds8

About [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane

[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane (PubChem CID 134912411) has the molecular formula C26H46O2P2Si4 and a molecular weight of 564.94 g/mol. Its IUPAC name is [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
PubChem CID134912411
Molecular FormulaC26H46O2P2Si4
Molecular Weight564.94 g/mol
Exact Mass564.21
IUPAC Name[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(c2ccccc2)P([Si](C)(C)C)P([Si](C)(C)C)C1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C26H46O2P2Si4/c1-31(2,3)27-25(23-19-15-13-16-20-23)26(28-32(4,5)6,24-21-17-14-18-22-24)30(34(10,11)12)29(25)33(7,8)9/h13-22H,1-12H3
InChIKeyVOAICXXCEDTZMF-UHFFFAOYSA-N
XLogP9.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.94
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12534368
CID 12534368
CID 597386
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CID 101858586
CID 101858586
CID 13301412
CID 13301412
CID 14244099
CID 14244099
CID 10934478
CID 10934478
CID 11000074
CID 11000074
CID 57377061
CID 57377061
CID 66821955
CID 66821955
CID 123903680
CID 123903680
CID 91710351
CID 91710351
CID 91710443
CID 91710443

Frequently Asked Questions

What is the IUPAC name of [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The IUPAC name of [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane (CID 134912411) is [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(c2ccccc2)P([Si](C)(C)C)P([Si](C)(C)C)C1(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The InChIKey is VOAICXXCEDTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2P2Si4/c1-31(2,3)27-25(23-19-15-13-16-20-23)26(28-32(4,5)6,24-21-17-14-18-22-24)30(34(10,11)12)29(25)33(7,8)9/h13-22H,1-12H3.
What are the key properties of [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
[3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane has a molecular weight of 564.94 g/mol, XLogP of 9.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-diphenyl-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 134912411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).