2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene

C9H13Si — CID 22335962

IUPAC—
SMILESC[Si](C)C1=CC2C=CC1C2
InChIInChI=1S/C9H13Si/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyNBBOLZZRHKUFIL-UHFFFAOYSA-N
MW149.29 g/mol
LogP2.41
Rot. Bonds1

About 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene

2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene (PubChem CID 22335962) has the molecular formula C9H13Si and a molecular weight of 149.29 g/mol.

Molecular Properties

Compound Name2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene
PubChem CID22335962
Molecular FormulaC9H13Si
Molecular Weight149.29 g/mol
Exact Mass149.08
IUPAC Name—
SMILESC[Si](C)C1=CC2C=CC1C2
InChIInChI=1S/C9H13Si/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyNBBOLZZRHKUFIL-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.29
LogP ≤ 52.41
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

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
Trimethylsilylnorbornene
CID 66700380
7-Trimethylsilylbicyclo[2,2,1]hept-2-ene
CID 129688877
(Methyldiisopropylsilyl)norbornene
CID 129773620
Ethylsilylnorbornene
CID 129773643
Bicyclo[2.2.1]hepta-2,5-diene;bis(ethenyl-methanidyl-dimethylsilane);platinum(2+)
CID 134888512
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
CID 134991920
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
CID 134992011
2-Dichloro(3-trimethylsilylpropyl)silylnorbornadiene
CID 548736
2-Methylbis(3-trimethylsilylpropyl)silylnorbornadiene
CID 553322

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene?
The IUPAC name of 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene (CID 22335962) is not available.
What is the SMILES notation for 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene?
The canonical SMILES for 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene is C[Si](C)C1=CC2C=CC1C2.
What is the InChIKey of 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene?
The InChIKey is NBBOLZZRHKUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Si/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene?
2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene has a molecular weight of 149.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylbicyclo[2.2.1]hept-2,5-diene is sourced from PubChem (CID 22335962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).