3-trimethylsilylpenta-3,4-dien-2-one

C8H14OSi — CID 11789436

IUPAC3-trimethylsilylpenta-3,4-dien-2-one
SMILESC=C=C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-6-8(7(2)9)10(3,4)5/h1H2,2-5H3
InChIKeyIQGNOLDTGVRQOB-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.16
Rot. Bonds2

About 3-trimethylsilylpenta-3,4-dien-2-one

3-trimethylsilylpenta-3,4-dien-2-one (PubChem CID 11789436) has the molecular formula C8H14OSi and a molecular weight of 154.28 g/mol. Its IUPAC name is 3-trimethylsilylpenta-3,4-dien-2-one.

Molecular Properties

Compound Name3-trimethylsilylpenta-3,4-dien-2-one
PubChem CID11789436
Molecular FormulaC8H14OSi
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name3-trimethylsilylpenta-3,4-dien-2-one
SMILESC=C=C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C8H14OSi/c1-6-8(7(2)9)10(3,4)5/h1H2,2-5H3
InChIKeyIQGNOLDTGVRQOB-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.16
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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Related Compounds

propa-1,2-diene;propan-2-one
CID 159669386
acetic acid;ethenone
CID 174780267
trimethylsilylformic acid
CID 19885609
trimethyl(1-trimethylgermylethenyl)silane
CID 14291931
1-(acetyl-methyl-pent-1-ynylsilyl)ethanone
CID 89427508
2,2-dimethyl-3-trimethylsilylpenta-3,4-dienal
CID 102035427
acetic acid;palladium
CID 58759193
1-[acetyl(dimethyl)silyl]ethanone
CID 21286237
formaldehyde;2-methylpropane;propan-2-one
CID 157476549
acetic acid;ethenyl(trimethyl)silane
CID 172748830
1-trimethylsilylprop-2-en-1-one
CID 642585
non-5-yn-2-one
CID 14901661

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpenta-3,4-dien-2-one?
The IUPAC name of 3-trimethylsilylpenta-3,4-dien-2-one (CID 11789436) is 3-trimethylsilylpenta-3,4-dien-2-one.
What is the SMILES notation for 3-trimethylsilylpenta-3,4-dien-2-one?
The canonical SMILES for 3-trimethylsilylpenta-3,4-dien-2-one is C=C=C(C(C)=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylpenta-3,4-dien-2-one?
The InChIKey is IQGNOLDTGVRQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OSi/c1-6-8(7(2)9)10(3,4)5/h1H2,2-5H3.
What are the key properties of 3-trimethylsilylpenta-3,4-dien-2-one?
3-trimethylsilylpenta-3,4-dien-2-one has a molecular weight of 154.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpenta-3,4-dien-2-one is sourced from PubChem (CID 11789436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).