1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane

C12H20OSi — CID 69411007

IUPAC1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)OCC12C=CC(CC1)C2
InChIInChI=1S/C12H20OSi/c1-4-14(2,3)13-10-12-7-5-11(9-12)6-8-12/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyHWTNQIUKOUFRFP-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.29
Rot. Bonds4

About 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane

1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane (PubChem CID 69411007) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane
PubChem CID69411007
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)OCC12C=CC(CC1)C2
InChIInChI=1S/C12H20OSi/c1-4-14(2,3)13-10-12-7-5-11(9-12)6-8-12/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyHWTNQIUKOUFRFP-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane (CID 69411007) is 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane is C=C[Si](C)(C)OCC12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane?
The InChIKey is HWTNQIUKOUFRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-4-14(2,3)13-10-12-7-5-11(9-12)6-8-12/h4-5,7,11H,1,6,8-10H2,2-3H3.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane?
1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enylmethoxy-ethenyl-dimethylsilane is sourced from PubChem (CID 69411007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).