tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane

C16H32OSi — CID 11448578

IUPACtert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane
SMILESCC1=CCC(O[Si](C)(C)C(C)(C)C)(C(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13(2)16(11-9-14(3)10-12-16)17-18(7,8)15(4,5)6/h9,13H,10-12H2,1-8H3
InChIKeyBHWMIJOWWDJAPK-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.53
Rot. Bonds3

About tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane

tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane (PubChem CID 11448578) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane
PubChem CID11448578
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane
SMILESCC1=CCC(O[Si](C)(C)C(C)(C)C)(C(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-13(2)16(11-9-14(3)10-12-16)17-18(7,8)15(4,5)6/h9,13H,10-12H2,1-8H3
InChIKeyBHWMIJOWWDJAPK-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.53
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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Related Compounds

tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
Trimethyl((2-(4-methylcyclohex-3-en-1-yl)propan-2-yl)oxy)silane
CID 582864
alpha-Bisabolol, TMS derivative
CID 14486055
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
CID 101474220
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(1S,2S)-2-ethenyl-1-methyl-3-propan-2-ylidenecyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020043
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 139263530

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane (CID 11448578) is tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane is CC1=CCC(O[Si](C)(C)C(C)(C)C)(C(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane?
The InChIKey is BHWMIJOWWDJAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13(2)16(11-9-14(3)10-12-16)17-18(7,8)15(4,5)6/h9,13H,10-12H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane?
tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane is sourced from PubChem (CID 11448578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).