1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one

C10H20O2Si — CID 20675074

IUPAC1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one
SMILESC=CC(=O)C[Si](C)(C)C(C)(C)OC
InChIInChI=1S/C10H20O2Si/c1-7-9(11)8-13(5,6)10(2,3)12-4/h7H,1,8H2,2-6H3
InChIKeyYTKXLPVGIOBWIK-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one

1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one (PubChem CID 20675074) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one.

Molecular Properties

Compound Name1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one
PubChem CID20675074
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one
SMILESC=CC(=O)C[Si](C)(C)C(C)(C)OC
InChIInChI=1S/C10H20O2Si/c1-7-9(11)8-13(5,6)10(2,3)12-4/h7H,1,8H2,2-6H3
InChIKeyYTKXLPVGIOBWIK-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5,5,5-trimethoxypent-1-en-3-one
CID 150427628
5-amino-5-hydroxyhex-1-en-3-one
CID 87129964
5,5,5-trifluoropent-1-en-3-one
CID 12622108
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
methyl 2-[ethenyl(dimethyl)silyl]acetate
CID 139840129
5,6,6-trimethylhept-1-en-3-one
CID 114982432
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
5-(tert-butylamino)pent-1-en-3-one
CID 116557902
methyl 3-(2-oxobut-3-enylamino)benzoate
CID 66770331
bis[3-[ethenyl(dimethyl)silyl]-3-methylbutyl] carbonate
CID 175499501
[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]methyl prop-2-enoate
CID 141035069
8-(dimethylamino)-5,5-dimethoxyoct-1-en-3-one
CID 151304994

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one?
The IUPAC name of 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one (CID 20675074) is 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one.
What is the SMILES notation for 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one?
The canonical SMILES for 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one is C=CC(=O)C[Si](C)(C)C(C)(C)OC.
What is the InChIKey of 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one?
The InChIKey is YTKXLPVGIOBWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-9(11)8-13(5,6)10(2,3)12-4/h7H,1,8H2,2-6H3.
What are the key properties of 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one?
1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one has a molecular weight of 200.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxypropan-2-yl(dimethyl)silyl]but-3-en-2-one is sourced from PubChem (CID 20675074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).