(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one

C10H18OSi — CID 12935884

IUPAC(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one
SMILESC/C=C(/C)C(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h6-8H,1-5H3/b8-7+,9-6-
InChIKeyYARWDVPRWIILSG-NEVGTANLSA-N
MW182.34 g/mol
LogP2.96
Rot. Bonds3

About (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one

(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one (PubChem CID 12935884) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one
PubChem CID12935884
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one
SMILESC/C=C(/C)C(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h6-8H,1-5H3/b8-7+,9-6-
InChIKeyYARWDVPRWIILSG-NEVGTANLSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.96
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 (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one?
The IUPAC name of (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one (CID 12935884) is (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one.
What is the SMILES notation for (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one?
The canonical SMILES for (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one is C/C=C(/C)C(=O)/C=C/[Si](C)(C)C.
What is the InChIKey of (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one?
The InChIKey is YARWDVPRWIILSG-NEVGTANLSA-N. The full InChI is InChI=1S/C10H18OSi/c1-6-9(2)10(11)7-8-12(3,4)5/h6-8H,1-5H3/b8-7+,9-6-.
What are the key properties of (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one?
(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one has a molecular weight of 182.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-one is sourced from PubChem (CID 12935884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).