7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane

C13H20Si — CID 553403

IUPAC7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=CC2C=CC=CC1C2
InChIInChI=1S/C13H20Si/c1-14(2,3)10-13-9-11-6-4-5-7-12(13)8-11/h4-7,9,11-12H,8,10H2,1-3H3
InChIKeyCMCRLLOSLRWRKX-UHFFFAOYSA-N
MW204.39 g/mol
LogP4.01
Rot. Bonds2

About 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane

7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane (PubChem CID 553403) has the molecular formula C13H20Si and a molecular weight of 204.39 g/mol. Its IUPAC name is 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane.

Molecular Properties

Compound Name7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane
PubChem CID553403
Molecular FormulaC13H20Si
Molecular Weight204.39 g/mol
Exact Mass204.13
IUPAC Name7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=CC2C=CC=CC1C2
InChIInChI=1S/C13H20Si/c1-14(2,3)10-13-9-11-6-4-5-7-12(13)8-11/h4-7,9,11-12H,8,10H2,1-3H3
InChIKeyCMCRLLOSLRWRKX-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 54.01
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 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane?
The IUPAC name of 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane (CID 553403) is 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane.
What is the SMILES notation for 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane?
The canonical SMILES for 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane is C[Si](C)(C)CC1=CC2C=CC=CC1C2.
What is the InChIKey of 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane?
The InChIKey is CMCRLLOSLRWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Si/c1-14(2,3)10-13-9-11-6-4-5-7-12(13)8-11/h4-7,9,11-12H,8,10H2,1-3H3.
What are the key properties of 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane?
7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane has a molecular weight of 204.39 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.1]nona-2,4,7-trienylmethyl(trimethyl)silane is sourced from PubChem (CID 553403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).