2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane

C12H16OSi — CID 69409606

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane
SMILESC=C[Si](C)(C=C)OC1=CC2C=CC1C2
InChIInChI=1S/C12H16OSi/c1-4-14(3,5-2)13-12-9-10-6-7-11(12)8-10/h4-7,9-11H,1-2,8H2,3H3
InChIKeyYLNSQGPYXQLMDA-UHFFFAOYSA-N
MW204.34 g/mol
LogP3.12
Rot. Bonds4

About 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane

2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane (PubChem CID 69409606) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane
PubChem CID69409606
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane
SMILESC=C[Si](C)(C=C)OC1=CC2C=CC1C2
InChIInChI=1S/C12H16OSi/c1-4-14(3,5-2)13-12-9-10-6-7-11(12)8-10/h4-7,9-11H,1-2,8H2,3H3
InChIKeyYLNSQGPYXQLMDA-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 53.12
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-dienyloxy-bis(ethenyl)-methylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane (CID 69409606) is 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane is C=C[Si](C)(C=C)OC1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane?
The InChIKey is YLNSQGPYXQLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-4-14(3,5-2)13-12-9-10-6-7-11(12)8-10/h4-7,9-11H,1-2,8H2,3H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane?
2-bicyclo[2.2.1]hepta-2,5-dienyloxy-bis(ethenyl)-methylsilane has a molecular weight of 204.34 g/mol, XLogP of 3.12, 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-dienyloxy-bis(ethenyl)-methylsilane is sourced from PubChem (CID 69409606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).