tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane

C22H44O2Si2 — CID 135008502

IUPACtert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H44O2Si2/c1-21(2,3)25(7,8)23-18-12-11-13-19-14-16-20(17-15-19)24-26(9,10)22(4,5)6/h19-20H,12,14-18H2,1-10H3
InChIKeyHKYUZFDNNROLGD-UHFFFAOYSA-N
MW396.76 g/mol
LogP6.98
Rot. Bonds5

About tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane

tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane (PubChem CID 135008502) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
PubChem CID135008502
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H44O2Si2/c1-21(2,3)25(7,8)23-18-12-11-13-19-14-16-20(17-15-19)24-26(9,10)22(4,5)6/h19-20H,12,14-18H2,1-10H3
InChIKeyHKYUZFDNNROLGD-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
Silane, diethyl(cis-4-methylcyclohexyloxy)(trans-4-methylcyclohexyloxy)-
CID 91699932
Silane, diethylpropoxy(trans-4-methylcyclohexyloxy)-
CID 91714755
Silane, diethyl(cis-4-methylcyclohexyloxy)isobutoxy-
CID 91738036
Silane, diethylbutoxy(cis-4-methylcyclohexyloxy)-
CID 91738050
Silane, diethyl(cis-4-methylcyclohexyloxy)pentyloxy-
CID 91739076
Silane, diethylisohexyloxy(trans-4-methylcyclohexyloxy)-
CID 91740147
Silane, diethyl(cis-4-methylcyclohexyloxy)hexyloxy-
CID 91740167
Silane, diethyl(cis-4-methylcyclohexyloxy)octyloxy-
CID 91741580
Silane, diethyl(cis-4-methylcyclohexyloxy)nonyloxy-
CID 91742122
Silane, diethyl(cis-4-methylcyclohexyloxy)decyloxy-
CID 91742698
Silane, diethyl(trans-4-methylcyclohexyloxy)undecyloxy-
CID 91743263

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane (CID 135008502) is tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#CC1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane?
The InChIKey is HKYUZFDNNROLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-21(2,3)25(7,8)23-18-12-11-13-19-14-16-20(17-15-19)24-26(9,10)22(4,5)6/h19-20H,12,14-18H2,1-10H3.
What are the key properties of tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 135008502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).