2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane

C9H16OSi — CID 23499932

IUPAC2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane
SMILESC[Si](C)(O)C1=C2CCC(C2)C1
InChIInChI=1S/C9H16OSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h7,10H,3-6H2,1-2H3
InChIKeyUKMXKJRSBIVDRF-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.22
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane

2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane (PubChem CID 23499932) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane
PubChem CID23499932
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane
SMILESC[Si](C)(O)C1=C2CCC(C2)C1
InChIInChI=1S/C9H16OSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h7,10H,3-6H2,1-2H3
InChIKeyUKMXKJRSBIVDRF-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane (CID 23499932) is 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane is C[Si](C)(O)C1=C2CCC(C2)C1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane?
The InChIKey is UKMXKJRSBIVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane?
2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane has a molecular weight of 168.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-1-enyl-hydroxy-dimethylsilane is sourced from PubChem (CID 23499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).