2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane

C16H30O3Si3 — CID 172765668

IUPAC2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane
SMILESCO[Si](O[SiH2]C=C(C)C)(O[SiH2]C=C(C)C)C1CC2C=CC1C2
InChIInChI=1S/C16H30O3Si3/c1-12(2)10-20-18-22(17-5,19-21-11-13(3)4)16-9-14-6-7-15(16)8-14/h6-7,10-11,14-16H,8-9,20-21H2,1-5H3
InChIKeyMGVSKZQENDFOCR-UHFFFAOYSA-N
MW354.67 g/mol
LogP2.59
Rot. Bonds8

About 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane

2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane (PubChem CID 172765668) has the molecular formula C16H30O3Si3 and a molecular weight of 354.67 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane
PubChem CID172765668
Molecular FormulaC16H30O3Si3
Molecular Weight354.67 g/mol
Exact Mass354.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane
SMILESCO[Si](O[SiH2]C=C(C)C)(O[SiH2]C=C(C)C)C1CC2C=CC1C2
InChIInChI=1S/C16H30O3Si3/c1-12(2)10-20-18-22(17-5,19-21-11-13(3)4)16-9-14-6-7-15(16)8-14/h6-7,10-11,14-16H,8-9,20-21H2,1-5H3
InChIKeyMGVSKZQENDFOCR-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane (CID 172765668) is 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane is CO[Si](O[SiH2]C=C(C)C)(O[SiH2]C=C(C)C)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane?
The InChIKey is MGVSKZQENDFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si3/c1-12(2)10-20-18-22(17-5,19-21-11-13(3)4)16-9-14-6-7-15(16)8-14/h6-7,10-11,14-16H,8-9,20-21H2,1-5H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane?
2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane has a molecular weight of 354.67 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane is sourced from PubChem (CID 172765668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).