trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane

C16H24Si — CID 57072834

IUPACtrimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane
SMILESC=CC(C=CCc1ccccc1C)[Si](C)(C)C
InChIInChI=1S/C16H24Si/c1-6-16(17(3,4)5)13-9-12-15-11-8-7-10-14(15)2/h6-11,13,16H,1,12H2,2-5H3
InChIKeyRIQMUDMKDWUERV-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.99
Rot. Bonds5

About trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane

trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane (PubChem CID 57072834) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane
PubChem CID57072834
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Nametrimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane
SMILESC=CC(C=CCc1ccccc1C)[Si](C)(C)C
InChIInChI=1S/C16H24Si/c1-6-16(17(3,4)5)13-9-12-15-11-8-7-10-14(15)2/h6-11,13,16H,1,12H2,2-5H3
InChIKeyRIQMUDMKDWUERV-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.99
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 trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane?
The IUPAC name of trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane (CID 57072834) is trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane.
What is the SMILES notation for trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane?
The canonical SMILES for trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane is C=CC(C=CCc1ccccc1C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane?
The InChIKey is RIQMUDMKDWUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-6-16(17(3,4)5)13-9-12-15-11-8-7-10-14(15)2/h6-11,13,16H,1,12H2,2-5H3.
What are the key properties of trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane?
trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane has a molecular weight of 244.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(2-methylphenyl)hexa-1,4-dien-3-yl]silane is sourced from PubChem (CID 57072834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).