tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane

C32H51O3PSi2 — CID 124630491

IUPACtert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m0/s1
InChIKeyLOVRVVSIBIVFTN-NSOVKSMOSA-N
MW570.90 g/mol
LogP8.89
Rot. Bonds8

About tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane (PubChem CID 124630491) has the molecular formula C32H51O3PSi2 and a molecular weight of 570.90 g/mol. Its IUPAC name is tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
PubChem CID124630491
Molecular FormulaC32H51O3PSi2
Molecular Weight570.90 g/mol
Exact Mass570.31
IUPAC Nametert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m0/s1
InChIKeyLOVRVVSIBIVFTN-NSOVKSMOSA-N
XLogP8.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.90
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane (CID 124630491) is tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane?
The InChIKey is LOVRVVSIBIVFTN-NSOVKSMOSA-N. The full InChI is InChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m0/s1.
What are the key properties of tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane has a molecular weight of 570.90 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 124630491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).