tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane

C20H36OSi — CID 134972664

IUPACtert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
SMILESC=CCC(C)(C)CC1(O[Si](C)(C)C(C)(C)C)C2C=CC1CC2
InChIInChI=1S/C20H36OSi/c1-9-14-19(5,6)15-20(16-10-11-17(20)13-12-16)21-22(7,8)18(2,3)4/h9-11,16-17H,1,12-15H2,2-8H3
InChIKeySWGZBYKTJBAMDK-UHFFFAOYSA-N
MW320.59 g/mol
LogP6.34
Rot. Bonds6

About tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane

tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane (PubChem CID 134972664) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
PubChem CID134972664
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
SMILESC=CCC(C)(C)CC1(O[Si](C)(C)C(C)(C)C)C2C=CC1CC2
InChIInChI=1S/C20H36OSi/c1-9-14-19(5,6)15-20(16-10-11-17(20)13-12-16)21-22(7,8)18(2,3)4/h9-11,16-17H,1,12-15H2,2-8H3
InChIKeySWGZBYKTJBAMDK-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.34
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

[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
CID 10734653
[(1R,2R,3S)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentyl]oxy-trimethylsilane
CID 49818552
[(1S,3aR,5E,9aR)-1,8,8-trimethyl-3a-trimethylsilyloxy-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-yl]methyl-trimethylsilane
CID 49818553
[(3R,3aR,8aS)-3-ethenyl-5,5-dimethyl-1,2,3,4,6,8a-hexahydroazulen-3a-yl]oxy-tert-butyl-dimethylsilane
CID 134972665
[(1S,2S)-2-ethenyl-1-methyl-3-propan-2-ylidenecyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020043
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
(9-Tert-butylspiro[4.4]non-3-en-9-yl)oxy-dimethylsilane
CID 173336787
2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl-diethyl-[(1-ethylcyclobutyl)methoxy]silane
CID 173635582
2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl-[(1-ethylcyclobutyl)methoxy]-dimethylsilane
CID 173635583
[(3R,3aR,5aR,6S,8aR,8bS)-3-ethenyl-8a-methyl-6-propan-2-yl-2,3,3a,5a,6,7,8,8b-octahydro-1H-as-indacen-4-yl]oxy-trimethylsilane
CID 9974048
(E,3S,6R)-6-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]-2,3-dimethylhept-4-en-2-ol
CID 10024334

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane (CID 134972664) is tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane is C=CCC(C)(C)CC1(O[Si](C)(C)C(C)(C)C)C2C=CC1CC2.
What is the InChIKey of tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane?
The InChIKey is SWGZBYKTJBAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OSi/c1-9-14-19(5,6)15-20(16-10-11-17(20)13-12-16)21-22(7,8)18(2,3)4/h9-11,16-17H,1,12-15H2,2-8H3.
What are the key properties of tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane?
tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 134972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).