[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane

C35H59O4PSi3 — CID 91586432

IUPAC[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C35H59O4PSi3/c1-34(2,3)42(10,11)37-31-26-28(27-32(33(31)39-41(7,8)9)38-43(12,13)35(4,5)6)24-25-40(36,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,26,31-33H,24-25,27H2,1-13H3/t31-,32-,33?/m1/s1
InChIKeyRYXSWZUCIZTEIN-NWBPNMJXSA-N
MW659.09 g/mol
LogP9.72
Rot. Bonds11

About [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane

[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane (PubChem CID 91586432) has the molecular formula C35H59O4PSi3 and a molecular weight of 659.09 g/mol. Its IUPAC name is [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane
PubChem CID91586432
Molecular FormulaC35H59O4PSi3
Molecular Weight659.09 g/mol
Exact Mass658.35
IUPAC Name[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C35H59O4PSi3/c1-34(2,3)42(10,11)37-31-26-28(27-32(33(31)39-41(7,8)9)38-43(12,13)35(4,5)6)24-25-40(36,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,26,31-33H,24-25,27H2,1-13H3/t31-,32-,33?/m1/s1
InChIKeyRYXSWZUCIZTEIN-NWBPNMJXSA-N
XLogP9.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.09
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane (CID 91586432) is [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane?
The InChIKey is RYXSWZUCIZTEIN-NWBPNMJXSA-N. The full InChI is InChI=1S/C35H59O4PSi3/c1-34(2,3)42(10,11)37-31-26-28(27-32(33(31)39-41(7,8)9)38-43(12,13)35(4,5)6)24-25-40(36,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,26,31-33H,24-25,27H2,1-13H3/t31-,32-,33?/m1/s1.
What are the key properties of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane?
[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane has a molecular weight of 659.09 g/mol, XLogP of 9.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 91586432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).