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

C28H50O2P2Si4 — CID 134909670

IUPAC[3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
SMILESCc1ccc(C2(O[Si](C)(C)C)P([Si](C)(C)C)P([Si](C)(C)C)C2(O[Si](C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H50O2P2Si4/c1-23-15-19-25(20-16-23)27(29-33(3,4)5)28(30-34(6,7)8,26-21-17-24(2)18-22-26)32(36(12,13)14)31(27)35(9,10)11/h15-22H,1-14H3
InChIKeyDOVVTGYHVAFJRC-UHFFFAOYSA-N
MW593.00 g/mol
LogP10.57
Rot. Bonds8

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

[3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane (PubChem CID 134909670) has the molecular formula C28H50O2P2Si4 and a molecular weight of 593.00 g/mol. Its IUPAC name is [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
PubChem CID134909670
Molecular FormulaC28H50O2P2Si4
Molecular Weight593.00 g/mol
Exact Mass592.24
IUPAC Name[3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane
SMILESCc1ccc(C2(O[Si](C)(C)C)P([Si](C)(C)C)P([Si](C)(C)C)C2(O[Si](C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H50O2P2Si4/c1-23-15-19-25(20-16-23)27(29-33(3,4)5)28(30-34(6,7)8,26-21-17-24(2)18-22-26)32(36(12,13)14)31(27)35(9,10)11/h15-22H,1-14H3
InChIKeyDOVVTGYHVAFJRC-UHFFFAOYSA-N
XLogP10.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.00
LogP ≤ 510.57
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 14244099
CID 14244099
CID 10577945
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CID 91710660
CID 91710660
CID 601548
CID 601548
CID 10068766
CID 10068766
CID 10871421
CID 10871421
CID 10935685
CID 10935685
CID 11078857
CID 11078857
CID 11201083
CID 11201083
CID 11362290
CID 11362290
CID 14874728
CID 14874728
CID 15321552
CID 15321552

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The IUPAC name of [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane (CID 134909670) is [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane is Cc1ccc(C2(O[Si](C)(C)C)P([Si](C)(C)C)P([Si](C)(C)C)C2(O[Si](C)(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
The InChIKey is DOVVTGYHVAFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O2P2Si4/c1-23-15-19-25(20-16-23)27(29-33(3,4)5)28(30-34(6,7)8,26-21-17-24(2)18-22-26)32(36(12,13)14)31(27)35(9,10)11/h15-22H,1-14H3.
What are the key properties of [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane?
[3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane has a molecular weight of 593.00 g/mol, XLogP of 10.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(4-methylphenyl)-1,2-bis(trimethylsilyl)-4-trimethylsilyloxydiphosphetan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 134909670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).