2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane

C12H18Si — CID 152617048

IUPAC2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
SMILES[SiH3]C12C3C=CC(C3)C1C1CCC2C1
InChIInChI=1S/C12H18Si/c13-12-9-3-1-7(5-9)11(12)8-2-4-10(12)6-8/h1,3,7-11H,2,4-6H2,13H3
InChIKeyZASTUABLGOOOAC-UHFFFAOYSA-N
MW190.36 g/mol
LogP1.76
Rot. Bonds

About 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane

2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane (PubChem CID 152617048) has the molecular formula C12H18Si and a molecular weight of 190.36 g/mol. Its IUPAC name is 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane.

Molecular Properties

Compound Name2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
PubChem CID152617048
Molecular FormulaC12H18Si
Molecular Weight190.36 g/mol
Exact Mass190.12
IUPAC Name2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
SMILES[SiH3]C12C3C=CC(C3)C1C1CCC2C1
InChIInChI=1S/C12H18Si/c13-12-9-3-1-7(5-9)11(12)8-2-4-10(12)6-8/h1,3,7-11H,2,4-6H2,13H3
InChIKeyZASTUABLGOOOAC-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
CID 141120203
dimethyl (1S,2R,3S,4S,5S,8R,9R,10R,11S,12R)-hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadec-6-ene-3,10-dicarboxylate
CID 10758670
(3S,6R)-6-(2-hydroxyethyl)tricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 147555988
14-methylpentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57275420
14-fluoropentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57039976
14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57025847
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
9-(1-cyclohexyloxyethoxy)-2,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 150613051
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
CID 12616171
(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 110172348
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268

Frequently Asked Questions

What is the IUPAC name of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane?
The IUPAC name of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane (CID 152617048) is 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane.
What is the SMILES notation for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane?
The canonical SMILES for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane is [SiH3]C12C3C=CC(C3)C1C1CCC2C1.
What is the InChIKey of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane?
The InChIKey is ZASTUABLGOOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Si/c13-12-9-3-1-7(5-9)11(12)8-2-4-10(12)6-8/h1,3,7-11H,2,4-6H2,13H3.
What are the key properties of 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane?
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane has a molecular weight of 190.36 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane is sourced from PubChem (CID 152617048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).