2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane

C12H18OSi — CID 69411849

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)OCC1=CC2C=CC1C2
InChIInChI=1S/C12H18OSi/c1-4-14(2,3)13-9-12-8-10-5-6-11(12)7-10/h4-6,8,10-11H,1,7,9H2,2-3H3
InChIKeyHESCMUOWLSLSOR-UHFFFAOYSA-N
MW206.36 g/mol
LogP3.07
Rot. Bonds4

About 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane

2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane (PubChem CID 69411849) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane
PubChem CID69411849
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)OCC1=CC2C=CC1C2
InChIInChI=1S/C12H18OSi/c1-4-14(2,3)13-9-12-8-10-5-6-11(12)7-10/h4-6,8,10-11H,1,7,9H2,2-3H3
InChIKeyHESCMUOWLSLSOR-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 53.07
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 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane (CID 69411849) is 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane is C=C[Si](C)(C)OCC1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane?
The InChIKey is HESCMUOWLSLSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-4-14(2,3)13-9-12-8-10-5-6-11(12)7-10/h4-6,8,10-11H,1,7,9H2,2-3H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane?
2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane has a molecular weight of 206.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane is sourced from PubChem (CID 69411849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).