[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane

C7H9Cl3Si — CID 25113252

IUPAC[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
SMILESCl[Si](Cl)(Cl)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9Cl3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m0/s1
InChIKeyRDAOXVBXDCANBV-RRKCRQDMSA-N
MW227.59 g/mol
LogP3.61
Rot. Bonds1

About [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane

[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane (PubChem CID 25113252) has the molecular formula C7H9Cl3Si and a molecular weight of 227.59 g/mol. Its IUPAC name is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane.

Molecular Properties

Compound Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
PubChem CID25113252
Molecular FormulaC7H9Cl3Si
Molecular Weight227.59 g/mol
Exact Mass225.95
IUPAC Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
SMILESCl[Si](Cl)(Cl)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9Cl3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m0/s1
InChIKeyRDAOXVBXDCANBV-RRKCRQDMSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enyl-chloro-diethylsilane
CID 22228989
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933
2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
CID 14985012
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethoxysilane
CID 176549494
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
2-bicyclo[2.2.1]hept-5-enyl-cyclohexyl-dimethoxysilane
CID 69437034
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
CID 100966944
2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519
2-bicyclo[2.2.1]hept-5-enylazanium
CID 134866757

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane?
The IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane (CID 25113252) is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane.
What is the SMILES notation for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane?
The canonical SMILES for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane is Cl[Si](Cl)(Cl)[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane?
The InChIKey is RDAOXVBXDCANBV-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H9Cl3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7+/m0/s1.
What are the key properties of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane?
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane has a molecular weight of 227.59 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane is sourced from PubChem (CID 25113252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).