2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane

C12H22O2Si — CID 14985012

IUPAC2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CC2C=CC1C2
InChIInChI=1S/C12H22O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyIFNXJVLFRFKOBT-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds5

About 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane

2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane (PubChem CID 14985012) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
PubChem CID14985012
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CC2C=CC1C2
InChIInChI=1S/C12H22O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyIFNXJVLFRFKOBT-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethoxysilane
CID 176549494
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
2-bicyclo[2.2.1]hept-5-enyl-chloro-diethylsilane
CID 22228989
2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-di(propan-2-yl)silane
CID 22229016
2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane
CID 22229061
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
CID 25113252
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933
2-bicyclo[2.2.1]hept-5-enyl-methoxy-propyl-(trimethoxysilylmethyl)silane
CID 140798648
2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane
CID 23499934
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane (CID 14985012) is 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane is CCO[Si](C)(OCC)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane?
The InChIKey is IFNXJVLFRFKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane?
2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane has a molecular weight of 226.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane is sourced from PubChem (CID 14985012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).