tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane

C20H42O2Si2 — CID 54533592

IUPACtert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane
SMILESCC1=CC(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H42O2Si2/c1-16-12-17(14-21-23(8,9)19(2,3)4)18(13-16)15-22-24(10,11)20(5,6)7/h12,17-18H,13-15H2,1-11H3
InChIKeyZNYKDXGQPKWXLQ-UHFFFAOYSA-N
MW370.73 g/mol
LogP6.61
Rot. Bonds6

About tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane (PubChem CID 54533592) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane
PubChem CID54533592
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane
SMILESCC1=CC(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H42O2Si2/c1-16-12-17(14-21-23(8,9)19(2,3)4)18(13-16)15-22-24(10,11)20(5,6)7/h12,17-18H,13-15H2,1-11H3
InChIKeyZNYKDXGQPKWXLQ-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
3,7-Dimethyloct-6-enoxy-dimethylsilyloxy-dimethylsilane
CID 101900133
[(1s,2r,5r)-5-({[t-Butyl(dimethyl)silyl]oxy}-methyl)-5-(trimethylsilyl)cyclopent-3-en-1-yl]-methanol
CID 132279897
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
CID 134963593
[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
CID 134980490
tert-butyl-[[(3E,4E)-3-butylidene-4-ethylidenecyclopentyl]methoxy]-dimethylsilane
CID 134983389
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane (CID 54533592) is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane is CC1=CC(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The InChIKey is ZNYKDXGQPKWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-16-12-17(14-21-23(8,9)19(2,3)4)18(13-16)15-22-24(10,11)20(5,6)7/h12,17-18H,13-15H2,1-11H3.
What are the key properties of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 54533592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).