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

C10H18Si — CID 134992011

IUPAC[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H18Si/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyKVYAQQCJQHSQOE-AEJSXWLSSA-N
MW166.34 g/mol
LogP3.29
Rot. Bonds1

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

[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane (PubChem CID 134992011) has the molecular formula C10H18Si and a molecular weight of 166.34 g/mol. Its IUPAC name is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
PubChem CID134992011
Molecular FormulaC10H18Si
Molecular Weight166.34 g/mol
Exact Mass166.12
IUPAC Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H18Si/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyKVYAQQCJQHSQOE-AEJSXWLSSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 53.29
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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Related Compounds

Bicyclo[2.2.1]hept-2-ene, 5-(trimethoxysilyl)-
CID 12504387
Chloro(2-(3-cyclohexen-1-yl)ethyl)dimethylsilane
CID 3538150
Bicyclo(2.2.1)hept-2-ene, 5-(dichloromethylsilyl)-
CID 86686
(2-(Bicyclo[2.2.1]hept-5-en-2-yl)ethyl)chlorodimethylsilane
CID 3353303
5-Chloro(dimethyl)silylnorbornene
CID 548778
Silane, bicyclo[2.2.1]hept-2-en-2-yltrimethyl-
CID 552419
Silane, triethyl-5-norbornen-2-yl-
CID 574755
Silane, bicyclo[2.2.1]hept-5-en-2-yltrimethyl-
CID 10329681
2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
5-Norbornen-2-yl(ethyl)chlorodimethylsilane, mixture of endo and exo
CID 71311221
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trifluorosilane
CID 134979763
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-trifluorosilane
CID 134992014

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane?
The IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane (CID 134992011) is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane.
What is the SMILES notation for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane?
The canonical SMILES for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane is C[Si](C)(C)[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane?
The InChIKey is KVYAQQCJQHSQOE-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18Si/c1-11(2,3)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10-/m0/s1.
What are the key properties of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane?
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane has a molecular weight of 166.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane is sourced from PubChem (CID 134992011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).