tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane

C30H38OSi2 — CID 132503824

IUPACtert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane
SMILESC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)/C1=C\[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38OSi2/c1-24-22-29(31-32(5,6)30(2,3)4)28(24)23-33(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,29H,22H2,1-6H3/b28-23-/t24-,29+/m1/s1
InChIKeyNQHCBXGLXMPRAJ-YMHXRQESSA-N
MW470.81 g/mol
LogP6.05
Rot. Bonds6

About tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane

tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane (PubChem CID 132503824) has the molecular formula C30H38OSi2 and a molecular weight of 470.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane
PubChem CID132503824
Molecular FormulaC30H38OSi2
Molecular Weight470.81 g/mol
Exact Mass470.25
IUPAC Nametert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane
SMILESC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)/C1=C\[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38OSi2/c1-24-22-29(31-32(5,6)30(2,3)4)28(24)23-33(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,29H,22H2,1-6H3/b28-23-/t24-,29+/m1/s1
InChIKeyNQHCBXGLXMPRAJ-YMHXRQESSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.81
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane
CID 134847832
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane
CID 146028802
2-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethoxy-diphenylphosphane
CID 146028212
tert-butyl-[(1R,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11124745
(1S,2R,3S,4S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-6-(2-methyloxiran-2-yl)cyclohexan-1-ol
CID 11467037
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
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 102184862
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane (CID 132503824) is tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane is C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)/C1=C\[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane?
The InChIKey is NQHCBXGLXMPRAJ-YMHXRQESSA-N. The full InChI is InChI=1S/C30H38OSi2/c1-24-22-29(31-32(5,6)30(2,3)4)28(24)23-33(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,29H,22H2,1-6H3/b28-23-/t24-,29+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane?
tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane has a molecular weight of 470.81 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane is sourced from PubChem (CID 132503824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).