5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one

C11H20OSi — CID 11074346

IUPAC5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)C)C(=O)C=C(C)C
InChIInChI=1S/C11H20OSi/c1-9(2)7-11(12)10(3)8-13(4,5)6/h7H,3,8H2,1-2,4-6H3
InChIKeyAFJAECPGQCBZFA-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.42
Rot. Bonds4

About 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one

5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one (PubChem CID 11074346) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one.

Molecular Properties

Compound Name5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
PubChem CID11074346
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)C)C(=O)C=C(C)C
InChIInChI=1S/C11H20OSi/c1-9(2)7-11(12)10(3)8-13(4,5)6/h7H,3,8H2,1-2,4-6H3
InChIKeyAFJAECPGQCBZFA-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The IUPAC name of 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one (CID 11074346) is 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one.
What is the SMILES notation for 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The canonical SMILES for 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one is C=C(C[Si](C)(C)C)C(=O)C=C(C)C.
What is the InChIKey of 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The InChIKey is AFJAECPGQCBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-9(2)7-11(12)10(3)8-13(4,5)6/h7H,3,8H2,1-2,4-6H3.
What are the key properties of 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one has a molecular weight of 196.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one is sourced from PubChem (CID 11074346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).