hepta-1,3,5-trien-2-ylsilane

C7H12Si — CID 123889240

IUPAChepta-1,3,5-trien-2-ylsilane
SMILESC=C([SiH3])C=CC=CC
InChIInChI=1S/C7H12Si/c1-3-4-5-6-7(2)8/h3-6H,2H2,1,8H3
InChIKeyIZXLUCWDHXOMRS-UHFFFAOYSA-N
MW124.26 g/mol
LogP1.00
Rot. Bonds2

About hepta-1,3,5-trien-2-ylsilane

hepta-1,3,5-trien-2-ylsilane (PubChem CID 123889240) has the molecular formula C7H12Si and a molecular weight of 124.26 g/mol. Its IUPAC name is hepta-1,3,5-trien-2-ylsilane.

Molecular Properties

Compound Namehepta-1,3,5-trien-2-ylsilane
PubChem CID123889240
Molecular FormulaC7H12Si
Molecular Weight124.26 g/mol
Exact Mass124.07
IUPAC Namehepta-1,3,5-trien-2-ylsilane
SMILESC=C([SiH3])C=CC=CC
InChIInChI=1S/C7H12Si/c1-3-4-5-6-7(2)8/h3-6H,2H2,1,8H3
InChIKeyIZXLUCWDHXOMRS-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hepta-1,3,5-trien-2-ylsilane?
The IUPAC name of hepta-1,3,5-trien-2-ylsilane (CID 123889240) is hepta-1,3,5-trien-2-ylsilane.
What is the SMILES notation for hepta-1,3,5-trien-2-ylsilane?
The canonical SMILES for hepta-1,3,5-trien-2-ylsilane is C=C([SiH3])C=CC=CC.
What is the InChIKey of hepta-1,3,5-trien-2-ylsilane?
The InChIKey is IZXLUCWDHXOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Si/c1-3-4-5-6-7(2)8/h3-6H,2H2,1,8H3.
What are the key properties of hepta-1,3,5-trien-2-ylsilane?
hepta-1,3,5-trien-2-ylsilane has a molecular weight of 124.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,3,5-trien-2-ylsilane is sourced from PubChem (CID 123889240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).