[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane

C18H32OSi — CID 167311432

IUPAC[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane
SMILESC=C[C@@]1(C)C=C(O[Si](CC)(CC)CC)C2CC1C2(C)C
InChIInChI=1S/C18H32OSi/c1-8-18(7)13-15(14-12-16(18)17(14,5)6)19-20(9-2,10-3)11-4/h8,13-14,16H,1,9-12H2,2-7H3/t14?,16?,18-/m0/s1
InChIKeyZQCMTFUKFBUSFI-PVARCSIZSA-N
MW292.54 g/mol
LogP5.76
Rot. Bonds6

About [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane

[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane (PubChem CID 167311432) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane
PubChem CID167311432
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane
SMILESC=C[C@@]1(C)C=C(O[Si](CC)(CC)CC)C2CC1C2(C)C
InChIInChI=1S/C18H32OSi/c1-8-18(7)13-15(14-12-16(18)17(14,5)6)19-20(9-2,10-3)11-4/h8,13-14,16H,1,9-12H2,2-7H3/t14?,16?,18-/m0/s1
InChIKeyZQCMTFUKFBUSFI-PVARCSIZSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.76
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

4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
trimethyl-[(3R,4R)-3-methyl-3-[2-[(1S)-1-methylcyclohex-2-en-1-yl]ethyl]-4-propan-2-ylcyclopenten-1-yl]oxysilane
CID 11984323
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
((4-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 14288526
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
CID 99772921
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
(((3S,4R)-3,4-dimethyl-3-vinylcyclohex-1-en-1-yl)oxy)(isopropyl)dimethylsilane
CID 126970747
((5-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 132274639
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
CID 134865480
[(6R)-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134906626
[(3S,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922475

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane?
The IUPAC name of [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane (CID 167311432) is [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane.
What is the SMILES notation for [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane?
The canonical SMILES for [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane is C=C[C@@]1(C)C=C(O[Si](CC)(CC)CC)C2CC1C2(C)C.
What is the InChIKey of [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane?
The InChIKey is ZQCMTFUKFBUSFI-PVARCSIZSA-N. The full InChI is InChI=1S/C18H32OSi/c1-8-18(7)13-15(14-12-16(18)17(14,5)6)19-20(9-2,10-3)11-4/h8,13-14,16H,1,9-12H2,2-7H3/t14?,16?,18-/m0/s1.
What are the key properties of [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane?
[(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-ethenyl-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-triethylsilane is sourced from PubChem (CID 167311432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).