2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate

C33H83O11PSi8 — CID 553144

IUPAC2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate
SMILESC[Si](C)(C)OCC(COP(=O)(OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C33H83O11PSi8/c1-46(2,3)36-26-27(38-47(4,5)6)25-35-45(34,44-53(22,23)24)37-28-29(39-48(7,8)9)31(41-50(13,14)15)33(43-52(19,20)21)32(42-51(16,17)18)30(28)40-49(10,11)12/h27-33H,25-26H2,1-24H3
InChIKeyKZAXRCMKPPMDAR-UHFFFAOYSA-N
MW911.68 g/mol
LogP10.53
Rot. Bonds22

About 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate

2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate (PubChem CID 553144) has the molecular formula C33H83O11PSi8 and a molecular weight of 911.68 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate
PubChem CID553144
Molecular FormulaC33H83O11PSi8
Molecular Weight911.68 g/mol
Exact Mass910.38
IUPAC Name2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate
SMILESC[Si](C)(C)OCC(COP(=O)(OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C33H83O11PSi8/c1-46(2,3)36-26-27(38-47(4,5)6)25-35-45(34,44-53(22,23)24)37-28-29(39-48(7,8)9)31(41-50(13,14)15)33(43-52(19,20)21)32(42-51(16,17)18)30(28)40-49(10,11)12/h27-33H,25-26H2,1-24H3
InChIKeyKZAXRCMKPPMDAR-UHFFFAOYSA-N
XLogP10.53
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.68
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate (CID 553144) is 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate is C[Si](C)(C)OCC(COP(=O)(OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate?
The InChIKey is KZAXRCMKPPMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H83O11PSi8/c1-46(2,3)36-26-27(38-47(4,5)6)25-35-45(34,44-53(22,23)24)37-28-29(39-48(7,8)9)31(41-50(13,14)15)33(43-52(19,20)21)32(42-51(16,17)18)30(28)40-49(10,11)12/h27-33H,25-26H2,1-24H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate?
2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate has a molecular weight of 911.68 g/mol, XLogP of 10.53, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl [2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] trimethylsilyl phosphate is sourced from PubChem (CID 553144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).