tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane

C16H30OSi — CID 91697335

IUPACtert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane
SMILESCC1(C)C2CC=C(CO[Si](C)(C)C(C)(C)C)C1C2
InChIInChI=1S/C16H30OSi/c1-15(2,3)18(6,7)17-11-12-8-9-13-10-14(12)16(13,4)5/h8,13-14H,9-11H2,1-7H3
InChIKeyFZELBJJDKWYMPP-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane

tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane (PubChem CID 91697335) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane
PubChem CID91697335
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane
SMILESCC1(C)C2CC=C(CO[Si](C)(C)C(C)(C)C)C1C2
InChIInChI=1S/C16H30OSi/c1-15(2,3)18(6,7)17-11-12-8-9-13-10-14(12)16(13,4)5/h8,13-14H,9-11H2,1-7H3
InChIKeyFZELBJJDKWYMPP-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
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

(-)-Myrtenol, TMS derivative
CID 552637
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-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
CID 134865480
[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134997266
[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
CID 134997267
(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 162418114
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy-trimethylsilane
CID 101712693

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane (CID 91697335) is tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane is CC1(C)C2CC=C(CO[Si](C)(C)C(C)(C)C)C1C2.
What is the InChIKey of tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane?
The InChIKey is FZELBJJDKWYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-15(2,3)18(6,7)17-11-12-8-9-13-10-14(12)16(13,4)5/h8,13-14H,9-11H2,1-7H3.
What are the key properties of tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane?
tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91697335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).