methyl(penta-1,3-dienyl)silane

C6H12Si — CID 123781139

IUPACmethyl(penta-1,3-dienyl)silane
SMILESCC=CC=C[SiH2]C
InChIInChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-6H,7H2,1-2H3
InChIKeyIICUFUKSVOJAKA-UHFFFAOYSA-N
MW112.25 g/mol
LogP1.29
Rot. Bonds2

About methyl(penta-1,3-dienyl)silane

methyl(penta-1,3-dienyl)silane (PubChem CID 123781139) has the molecular formula C6H12Si and a molecular weight of 112.25 g/mol. Its IUPAC name is methyl(penta-1,3-dienyl)silane.

Molecular Properties

Compound Namemethyl(penta-1,3-dienyl)silane
PubChem CID123781139
Molecular FormulaC6H12Si
Molecular Weight112.25 g/mol
Exact Mass112.07
IUPAC Namemethyl(penta-1,3-dienyl)silane
SMILESCC=CC=C[SiH2]C
InChIInChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-6H,7H2,1-2H3
InChIKeyIICUFUKSVOJAKA-UHFFFAOYSA-N
XLogP1.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.25
LogP ≤ 51.29
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 methyl(penta-1,3-dienyl)silane?
The IUPAC name of methyl(penta-1,3-dienyl)silane (CID 123781139) is methyl(penta-1,3-dienyl)silane.
What is the SMILES notation for methyl(penta-1,3-dienyl)silane?
The canonical SMILES for methyl(penta-1,3-dienyl)silane is CC=CC=C[SiH2]C.
What is the InChIKey of methyl(penta-1,3-dienyl)silane?
The InChIKey is IICUFUKSVOJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl(penta-1,3-dienyl)silane?
methyl(penta-1,3-dienyl)silane has a molecular weight of 112.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(penta-1,3-dienyl)silane is sourced from PubChem (CID 123781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).