tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane

C37H59O5PSi2 — CID 90943928

IUPACtert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCOCOCCC=C1[C@H](O[Si](C)(C)C(C)(C)C)C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H59O5PSi2/c1-36(2,3)44(8,9)41-34-27-30(24-26-43(38,31-19-14-12-15-20-31)32-21-16-13-17-22-32)28-35(42-45(10,11)37(4,5)6)33(34)23-18-25-40-29-39-7/h12-17,19-23,27,34-35H,18,24-26,28-29H2,1-11H3/t34-,35-/m1/s1
InChIKeyCDDXOVYQCKCLHU-VSJLXWSYSA-N
MW671.02 g/mol
LogP9.44
Rot. Bonds14

About tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 90943928) has the molecular formula C37H59O5PSi2 and a molecular weight of 671.02 g/mol. Its IUPAC name is tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID90943928
Molecular FormulaC37H59O5PSi2
Molecular Weight671.02 g/mol
Exact Mass670.36
IUPAC Nametert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCOCOCCC=C1[C@H](O[Si](C)(C)C(C)(C)C)C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H59O5PSi2/c1-36(2,3)44(8,9)41-34-27-30(24-26-43(38,31-19-14-12-15-20-31)32-21-16-13-17-22-32)28-35(42-45(10,11)37(4,5)6)33(34)23-18-25-40-29-39-7/h12-17,19-23,27,34-35H,18,24-26,28-29H2,1-11H3/t34-,35-/m1/s1
InChIKeyCDDXOVYQCKCLHU-VSJLXWSYSA-N
XLogP9.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.02
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 90943928) is tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane is COCOCCC=C1[C@H](O[Si](C)(C)C(C)(C)C)C=C(CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is CDDXOVYQCKCLHU-VSJLXWSYSA-N. The full InChI is InChI=1S/C37H59O5PSi2/c1-36(2,3)44(8,9)41-34-27-30(24-26-43(38,31-19-14-12-15-20-31)32-21-16-13-17-22-32)28-35(42-45(10,11)37(4,5)6)33(34)23-18-25-40-29-39-7/h12-17,19-23,27,34-35H,18,24-26,28-29H2,1-11H3/t34-,35-/m1/s1.
What are the key properties of tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 671.02 g/mol, XLogP of 9.44, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethyl)-6-[3-(methoxymethoxy)propylidene]cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 90943928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).