(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane

C16H24Si — CID 90725248

IUPAC(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane
SMILESCC=CC=C(C)c1cccc([Si](C)(C)C)c1C
InChIInChI=1S/C16H24Si/c1-7-8-10-13(2)15-11-9-12-16(14(15)3)17(4,5)6/h7-12H,1-6H3
InChIKeyZAIANXGQYBNHJH-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.52
Rot. Bonds3

About (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane

(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane (PubChem CID 90725248) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane
PubChem CID90725248
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Name(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane
SMILESCC=CC=C(C)c1cccc([Si](C)(C)C)c1C
InChIInChI=1S/C16H24Si/c1-7-8-10-13(2)15-11-9-12-16(14(15)3)17(4,5)6/h7-12H,1-6H3
InChIKeyZAIANXGQYBNHJH-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.52
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 (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane?
The IUPAC name of (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane (CID 90725248) is (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane.
What is the SMILES notation for (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane?
The canonical SMILES for (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane is CC=CC=C(C)c1cccc([Si](C)(C)C)c1C.
What is the InChIKey of (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane?
The InChIKey is ZAIANXGQYBNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-7-8-10-13(2)15-11-9-12-16(14(15)3)17(4,5)6/h7-12H,1-6H3.
What are the key properties of (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane?
(3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexa-2,4-dien-2-yl-2-methylphenyl)-trimethylsilane is sourced from PubChem (CID 90725248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).