4-dimethylsilyloxy-3-methylpent-3-en-2-one

C8H16O2Si — CID 123894610

IUPAC4-dimethylsilyloxy-3-methylpent-3-en-2-one
SMILESCC(=O)C(C)=C(C)O[SiH](C)C
InChIInChI=1S/C8H16O2Si/c1-6(7(2)9)8(3)10-11(4)5/h11H,1-5H3
InChIKeyIFJCPOQATGKBAA-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds3

About 4-dimethylsilyloxy-3-methylpent-3-en-2-one

4-dimethylsilyloxy-3-methylpent-3-en-2-one (PubChem CID 123894610) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 4-dimethylsilyloxy-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name4-dimethylsilyloxy-3-methylpent-3-en-2-one
PubChem CID123894610
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name4-dimethylsilyloxy-3-methylpent-3-en-2-one
SMILESCC(=O)C(C)=C(C)O[SiH](C)C
InChIInChI=1S/C8H16O2Si/c1-6(7(2)9)8(3)10-11(4)5/h11H,1-5H3
InChIKeyIFJCPOQATGKBAA-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethylsilyl 2-methylbut-2-enoate
CID 123251992
dimethylsilyl 2,2,2-trifluoroacetate
CID 123653640
bis(dimethylsilyl) pentanedioate
CID 173080734
azane;dimethylsilyl 2-hydroxypropanoate
CID 173286242
dimethylsilyl 2-methoxyacetate
CID 154197714
(Z)-4-dimethylsilyloxy-4-oxobut-2-enoic acid
CID 174869396
copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one
CID 58537801
(Z)-4-bromo-3-methylpent-3-en-2-one
CID 143763189
acetic acid;trimethylsilane
CID 158099392
methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate
CID 175511964
ethane;(Z)-4-fluoro-3-methylpent-3-en-2-one
CID 162375654
chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)
CID 5483673

Frequently Asked Questions

What is the IUPAC name of 4-dimethylsilyloxy-3-methylpent-3-en-2-one?
The IUPAC name of 4-dimethylsilyloxy-3-methylpent-3-en-2-one (CID 123894610) is 4-dimethylsilyloxy-3-methylpent-3-en-2-one.
What is the SMILES notation for 4-dimethylsilyloxy-3-methylpent-3-en-2-one?
The canonical SMILES for 4-dimethylsilyloxy-3-methylpent-3-en-2-one is CC(=O)C(C)=C(C)O[SiH](C)C.
What is the InChIKey of 4-dimethylsilyloxy-3-methylpent-3-en-2-one?
The InChIKey is IFJCPOQATGKBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6(7(2)9)8(3)10-11(4)5/h11H,1-5H3.
What are the key properties of 4-dimethylsilyloxy-3-methylpent-3-en-2-one?
4-dimethylsilyloxy-3-methylpent-3-en-2-one has a molecular weight of 172.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylsilyloxy-3-methylpent-3-en-2-one is sourced from PubChem (CID 123894610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).