tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane

C36H56FO3PSi2 — CID 11764756

IUPACtert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCF)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H56FO3PSi2/c1-28-29(24-26-41(38,30-19-14-12-15-20-30)31-21-16-13-17-22-31)27-33(39-42(8,9)35(2,3)4)32(23-18-25-37)34(28)40-43(10,11)36(5,6)7/h12-17,19-22,24,32-34H,1,18,23,25-27H2,2-11H3/b29-24-/t32-,33-,34+/m1/s1
InChIKeyYUYPUTLOOYDLNL-DOGHXCKQSA-N
MW642.99 g/mol
LogP10.03
Rot. Bonds11

About tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 11764756) has the molecular formula C36H56FO3PSi2 and a molecular weight of 642.99 g/mol. Its IUPAC name is tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID11764756
Molecular FormulaC36H56FO3PSi2
Molecular Weight642.99 g/mol
Exact Mass642.35
IUPAC Nametert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCF)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H56FO3PSi2/c1-28-29(24-26-41(38,30-19-14-12-15-20-30)31-21-16-13-17-22-31)27-33(39-42(8,9)35(2,3)4)32(23-18-25-37)34(28)40-43(10,11)36(5,6)7/h12-17,19-22,24,32-34H,1,18,23,25-27H2,2-11H3/b29-24-/t32-,33-,34+/m1/s1
InChIKeyYUYPUTLOOYDLNL-DOGHXCKQSA-N
XLogP10.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.99
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11124745
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 69170270
tert-butyl-[(3Z,5S)-3-(2-chloroethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane;tert-butyl-[(3Z,5S)-3-(2-diphenylphosphorylethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 54455919
tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
CID 124630491
tert-butyl-[[(4S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-diphenylphosphorylethylidene)-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane
CID 146028799
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-diphenylsilane
CID 86754892
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethyl)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 58652558
(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
CID 162404924
methyl 2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidene-4-(3-phenylmethoxypropoxy)cyclohexylidene]acetate
CID 173270962
tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane
CID 69236984
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methylidenecyclohexylidene]acetate
CID 54313452
[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethyl)cyclohex-3-en-1-yl]oxy-trimethylsilane
CID 91586432

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane (CID 11764756) is tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCF)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is YUYPUTLOOYDLNL-DOGHXCKQSA-N. The full InChI is InChI=1S/C36H56FO3PSi2/c1-28-29(24-26-41(38,30-19-14-12-15-20-30)31-21-16-13-17-22-31)27-33(39-42(8,9)35(2,3)4)32(23-18-25-37)34(28)40-43(10,11)36(5,6)7/h12-17,19-22,24,32-34H,1,18,23,25-27H2,2-11H3/b29-24-/t32-,33-,34+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 642.99 g/mol, XLogP of 10.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-(3-fluoropropyl)-4-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 11764756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).