(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane

C13H24OSi — CID 552637

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane
SMILESCC1(C)C2CC=C(CO[Si](C)(C)C)C1C2
InChIInChI=1S/C13H24OSi/c1-13(2)11-7-6-10(12(13)8-11)9-14-15(3,4)5/h6,11-12H,7-9H2,1-5H3
InChIKeySXFRDEDUVCJACW-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.83
Rot. Bonds3

About (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane

(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane (PubChem CID 552637) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane
PubChem CID552637
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane
SMILESCC1(C)C2CC=C(CO[Si](C)(C)C)C1C2
InChIInChI=1S/C13H24OSi/c1-13(2)11-7-6-10(12(13)8-11)9-14-15(3,4)5/h6,11-12H,7-9H2,1-5H3
InChIKeySXFRDEDUVCJACW-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.83
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

Myrtenyl methyl ether
CID 15775107
2-Pinen-10-hydroxyperoxide
CID 6430778
(-)-Myrtenol, TBDMS derivative
CID 91697335
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
(1r)-2-(Methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 129840765
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
CID 134865480
[2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxymethyl]cyclopropen-1-yl]-trimethylsilane
CID 134997267
[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
CID 162417900

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane (CID 552637) is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane is CC1(C)C2CC=C(CO[Si](C)(C)C)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane?
The InChIKey is SXFRDEDUVCJACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(2)11-7-6-10(12(13)8-11)9-14-15(3,4)5/h6,11-12H,7-9H2,1-5H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane?
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy-trimethylsilane is sourced from PubChem (CID 552637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).