tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane

C17H32OSi — CID 11087190

IUPACtert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]1(C)C1=CCCCC1
InChIInChI=1S/C17H32OSi/c1-16(2,3)19(5,6)18-15-12-13-17(15,4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17-/m1/s1
InChIKeyXSMWZLGBKVBWDF-NVXWUHKLSA-N
MW280.53 g/mol
LogP5.68
Rot. Bonds3

About tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane (PubChem CID 11087190) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
PubChem CID11087190
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]1(C)C1=CCCCC1
InChIInChI=1S/C17H32OSi/c1-16(2,3)19(5,6)18-15-12-13-17(15,4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17-/m1/s1
InChIKeyXSMWZLGBKVBWDF-NVXWUHKLSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane (CID 11087190) is tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]1(C)C1=CCCCC1.
What is the InChIKey of tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane?
The InChIKey is XSMWZLGBKVBWDF-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H32OSi/c1-16(2,3)19(5,6)18-15-12-13-17(15,4)14-10-8-7-9-11-14/h10,15H,7-9,11-13H2,1-6H3/t15-,17-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane is sourced from PubChem (CID 11087190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).