1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane

C13H28O3Si3 — CID 22325811

IUPAC1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O)(O[Si](C)(C)C)C12C=CC(CC1)C2
InChIInChI=1S/C13H28O3Si3/c1-17(2,3)15-19(14,16-18(4,5)6)13-9-7-12(11-13)8-10-13/h7,9,12,14H,8,10-11H2,1-6H3
InChIKeyYXMRITCJXRDBIW-UHFFFAOYSA-N
MW316.62 g/mol
LogP3.73
Rot. Bonds5

About 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane

1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane (PubChem CID 22325811) has the molecular formula C13H28O3Si3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane
PubChem CID22325811
Molecular FormulaC13H28O3Si3
Molecular Weight316.62 g/mol
Exact Mass316.13
IUPAC Name1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O)(O[Si](C)(C)C)C12C=CC(CC1)C2
InChIInChI=1S/C13H28O3Si3/c1-17(2,3)15-19(14,16-18(4,5)6)13-9-7-12(11-13)8-10-13/h7,9,12,14H,8,10-11H2,1-6H3
InChIKeyYXMRITCJXRDBIW-UHFFFAOYSA-N
XLogP3.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane (CID 22325811) is 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](O)(O[Si](C)(C)C)C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane?
The InChIKey is YXMRITCJXRDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si3/c1-17(2,3)15-19(14,16-18(4,5)6)13-9-7-12(11-13)8-10-13/h7,9,12,14H,8,10-11H2,1-6H3.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane?
1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane has a molecular weight of 316.62 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enyl-hydroxy-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 22325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).