3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane

C12H21ClSi — CID 22228822

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCC1CC2C=CC1C2
InChIInChI=1S/C12H21ClSi/c1-14(2,13)7-3-4-11-8-10-5-6-12(11)9-10/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyROAJPKDACBUQGA-UHFFFAOYSA-N
MW228.84 g/mol
LogP4.42
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane

3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane (PubChem CID 22228822) has the molecular formula C12H21ClSi and a molecular weight of 228.84 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane
PubChem CID22228822
Molecular FormulaC12H21ClSi
Molecular Weight228.84 g/mol
Exact Mass228.11
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCC1CC2C=CC1C2
InChIInChI=1S/C12H21ClSi/c1-14(2,13)7-3-4-11-8-10-5-6-12(11)9-10/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyROAJPKDACBUQGA-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.84
LogP ≤ 54.42
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 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane (CID 22228822) is 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane is C[Si](C)(Cl)CCCC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane?
The InChIKey is ROAJPKDACBUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClSi/c1-14(2,13)7-3-4-11-8-10-5-6-12(11)9-10/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane?
3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane has a molecular weight of 228.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)propyl-chloro-dimethylsilane is sourced from PubChem (CID 22228822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).