[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane

C26H44Cl2O2P2Si4 — CID 134912451

IUPAC[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(c2ccc(Cl)cc2)P([Si](C)(C)C)C(O[Si](C)(C)C)(c2ccc(Cl)cc2)P1[Si](C)(C)C
InChIInChI=1S/C26H44Cl2O2P2Si4/c1-33(2,3)29-25(21-13-17-23(27)18-14-21)31(35(7,8)9)26(30-34(4,5)6,32(25)36(10,11)12)22-15-19-24(28)20-16-22/h13-20H,1-12H3
InChIKeyKTAGJEMMWXBRGW-UHFFFAOYSA-N
MW633.83 g/mol
LogP11.26
Rot. Bonds8

About [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane

[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane (PubChem CID 134912451) has the molecular formula C26H44Cl2O2P2Si4 and a molecular weight of 633.83 g/mol. Its IUPAC name is [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane
PubChem CID134912451
Molecular FormulaC26H44Cl2O2P2Si4
Molecular Weight633.83 g/mol
Exact Mass632.13
IUPAC Name[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(c2ccc(Cl)cc2)P([Si](C)(C)C)C(O[Si](C)(C)C)(c2ccc(Cl)cc2)P1[Si](C)(C)C
InChIInChI=1S/C26H44Cl2O2P2Si4/c1-33(2,3)29-25(21-13-17-23(27)18-14-21)31(35(7,8)9)26(30-34(4,5)6,32(25)36(10,11)12)22-15-19-24(28)20-16-22/h13-20H,1-12H3
InChIKeyKTAGJEMMWXBRGW-UHFFFAOYSA-N
XLogP11.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.83
LogP ≤ 511.26
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 10496262
CID 10496262
CID 91712565
CID 91712565
CID 91712690
CID 91712690
CID 91734966
CID 91734966
CID 91734967
CID 91734967
CID 91734968
CID 91734968
CID 91734969
CID 91734969
CID 91734970
CID 91734970
CID 91735015
CID 91735015
CID 91742108
CID 91742108
CID 91742549
CID 91742549
CID 91742681
CID 91742681

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane (CID 134912451) is [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(c2ccc(Cl)cc2)P([Si](C)(C)C)C(O[Si](C)(C)C)(c2ccc(Cl)cc2)P1[Si](C)(C)C.
What is the InChIKey of [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane?
The InChIKey is KTAGJEMMWXBRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44Cl2O2P2Si4/c1-33(2,3)29-25(21-13-17-23(27)18-14-21)31(35(7,8)9)26(30-34(4,5)6,32(25)36(10,11)12)22-15-19-24(28)20-16-22/h13-20H,1-12H3.
What are the key properties of [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane?
[2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane has a molecular weight of 633.83 g/mol, XLogP of 11.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(4-chlorophenyl)-1,3-bis(trimethylsilyl)-4-trimethylsilyloxy-1,3-diphosphetan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 134912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).