2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane

C13H24Si — CID 22229004

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane
SMILESCCC[Si](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C13H24Si/c1-4-7-14(2,3)10-13-9-11-5-6-12(13)8-11/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyAOFXDPKICOAORB-UHFFFAOYSA-N
MW208.42 g/mol
LogP4.32
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane

2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane (PubChem CID 22229004) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane
PubChem CID22229004
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane
SMILESCCC[Si](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C13H24Si/c1-4-7-14(2,3)10-13-9-11-5-6-12(13)8-11/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyAOFXDPKICOAORB-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 54.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane (CID 22229004) is 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane is CCC[Si](C)(C)CC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane?
The InChIKey is AOFXDPKICOAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si/c1-4-7-14(2,3)10-13-9-11-5-6-12(13)8-11/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane?
2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane has a molecular weight of 208.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl-dimethyl-propylsilane is sourced from PubChem (CID 22229004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).