7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane

C17H28Si — CID 548129

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1Cc2ccccc21
InChIInChI=1S/C17H28Si/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16(15)17/h7-10,12-14,17H,11H2,1-6H3
InChIKeyTXZBGFQLLNUXEM-UHFFFAOYSA-N
MW260.50 g/mol
LogP5.54
Rot. Bonds4

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane

7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane (PubChem CID 548129) has the molecular formula C17H28Si and a molecular weight of 260.50 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane
PubChem CID548129
Molecular FormulaC17H28Si
Molecular Weight260.50 g/mol
Exact Mass260.20
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1Cc2ccccc21
InChIInChI=1S/C17H28Si/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16(15)17/h7-10,12-14,17H,11H2,1-6H3
InChIKeyTXZBGFQLLNUXEM-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane (CID 548129) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane?
The InChIKey is TXZBGFQLLNUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Si/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16(15)17/h7-10,12-14,17H,11H2,1-6H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane has a molecular weight of 260.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-tri(propan-2-yl)silane is sourced from PubChem (CID 548129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).