tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane

C17H32OSi — CID 11482911

IUPACtert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane
SMILESCC1(C)[C@H]2CC=C(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C17H32OSi/c1-16(2,3)19(6,7)18-11-10-13-8-9-14-12-15(13)17(14,4)5/h8,14-15H,9-12H2,1-7H3/t14-,15-/m0/s1
InChIKeyHKKVQXMWWIJGCL-GJZGRUSLSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane

tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane (PubChem CID 11482911) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane
PubChem CID11482911
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane
SMILESCC1(C)[C@H]2CC=C(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C17H32OSi/c1-16(2,3)19(6,7)18-11-10-13-8-9-14-12-15(13)17(14,4)5/h8,14-15H,9-12H2,1-7H3/t14-,15-/m0/s1
InChIKeyHKKVQXMWWIJGCL-GJZGRUSLSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
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

2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
(-)-Myrtenol, TMS derivative
CID 552637
(-)-Myrtenol, TBDMS derivative
CID 91697335
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
tert-Butyldimethyl(((S)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147452
tert-Butyldimethyl(((S)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147456
tert-Butyldimethyl(((R)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147471
tert-Butyldimethyl(((R)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147477
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
CID 134865480
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane (CID 11482911) is tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane is CC1(C)[C@H]2CC=C(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C2.
What is the InChIKey of tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane?
The InChIKey is HKKVQXMWWIJGCL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H32OSi/c1-16(2,3)19(6,7)18-11-10-13-8-9-14-12-15(13)17(14,4)5/h8,14-15H,9-12H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11482911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).