2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane

C11H19ClSi — CID 71311221

IUPAC2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H19ClSi/c1-13(2,12)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyUFEKKYNQUHJSEC-JKIOLJMWSA-N
MW214.81 g/mol
LogP4.03
Rot. Bonds3

About 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane

2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane (PubChem CID 71311221) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane.

Molecular Properties

Compound Name2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane
PubChem CID71311221
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H19ClSi/c1-13(2,12)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyUFEKKYNQUHJSEC-JKIOLJMWSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane?
The IUPAC name of 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane (CID 71311221) is 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane.
What is the SMILES notation for 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane?
The canonical SMILES for 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane is C[Si](C)(Cl)CCC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane?
The InChIKey is UFEKKYNQUHJSEC-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-13(2,12)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2H3/t9-,10+,11?/m1/s1.
What are the key properties of 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane?
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane has a molecular weight of 214.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane is sourced from PubChem (CID 71311221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).