[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane

C13H24Si — CID 10987502

IUPAC[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane
SMILESCC1(C)[C@@H]2CC(C[Si](C)(C)C)=C[C@H]1C2
InChIInChI=1S/C13H24Si/c1-13(2)11-6-10(7-12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyQQFMTSVBSOAETC-NWDGAFQWSA-N
MW208.42 g/mol
LogP4.32
Rot. Bonds2

About [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane

[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane (PubChem CID 10987502) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane
PubChem CID10987502
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane
SMILESCC1(C)[C@@H]2CC(C[Si](C)(C)C)=C[C@H]1C2
InChIInChI=1S/C13H24Si/c1-13(2)11-6-10(7-12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyQQFMTSVBSOAETC-NWDGAFQWSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
CID 101115831
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
CID 85397589
3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane
CID 167269391
tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate
CID 102214052
2-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]ethyl benzoate
CID 132838766
deuterio-[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanone
CID 154720161
[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium
CID 71519665
4-[3-[2-amino-2-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxy]propoxy]-2,3-dimethylbutoxy]-2,4-dimethylpent-1-en-3-one
CID 166811081
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956
CID 10498610
CID 10498610
10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
CID 91198196
(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 146164831

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane?
The IUPAC name of [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane (CID 10987502) is [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane is CC1(C)[C@@H]2CC(C[Si](C)(C)C)=C[C@H]1C2.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane?
The InChIKey is QQFMTSVBSOAETC-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24Si/c1-13(2)11-6-10(7-12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane?
[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane has a molecular weight of 208.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane is sourced from PubChem (CID 10987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).