(3E)-4-trimethylsilylbuta-1,3-dien-1-one

C7H12OSi — CID 53471603

IUPAC(3E)-4-trimethylsilylbuta-1,3-dien-1-one
SMILESC[Si](C)(C)/C=C/C=C=O
InChIInChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h4-5,7H,1-3H3/b7-5+
InChIKeyUVJVTBHGMBKGOO-FNORWQNLSA-N
MW140.26 g/mol
LogP1.81
Rot. Bonds2

About (3E)-4-trimethylsilylbuta-1,3-dien-1-one

(3E)-4-trimethylsilylbuta-1,3-dien-1-one (PubChem CID 53471603) has the molecular formula C7H12OSi and a molecular weight of 140.26 g/mol. Its IUPAC name is (3E)-4-trimethylsilylbuta-1,3-dien-1-one.

Molecular Properties

Compound Name(3E)-4-trimethylsilylbuta-1,3-dien-1-one
PubChem CID53471603
Molecular FormulaC7H12OSi
Molecular Weight140.26 g/mol
Exact Mass140.07
IUPAC Name(3E)-4-trimethylsilylbuta-1,3-dien-1-one
SMILESC[Si](C)(C)/C=C/C=C=O
InChIInChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h4-5,7H,1-3H3/b7-5+
InChIKeyUVJVTBHGMBKGOO-FNORWQNLSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-trimethylsilylbuta-1,3-dien-1-one?
The IUPAC name of (3E)-4-trimethylsilylbuta-1,3-dien-1-one (CID 53471603) is (3E)-4-trimethylsilylbuta-1,3-dien-1-one.
What is the SMILES notation for (3E)-4-trimethylsilylbuta-1,3-dien-1-one?
The canonical SMILES for (3E)-4-trimethylsilylbuta-1,3-dien-1-one is C[Si](C)(C)/C=C/C=C=O.
What is the InChIKey of (3E)-4-trimethylsilylbuta-1,3-dien-1-one?
The InChIKey is UVJVTBHGMBKGOO-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h4-5,7H,1-3H3/b7-5+.
What are the key properties of (3E)-4-trimethylsilylbuta-1,3-dien-1-one?
(3E)-4-trimethylsilylbuta-1,3-dien-1-one has a molecular weight of 140.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-trimethylsilylbuta-1,3-dien-1-one is sourced from PubChem (CID 53471603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).