3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate

C11H22O4Si — CID 123690492

IUPAC3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate
SMILESCOC(C)(C)[SiH2]CCCOC(=O)CC(C)=O
InChIInChI=1S/C11H22O4Si/c1-9(12)8-10(13)15-6-5-7-16-11(2,3)14-4/h5-8,16H2,1-4H3
InChIKeyUPUHUGFSQQEZGV-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.87
Rot. Bonds8

About 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate

3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate (PubChem CID 123690492) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate.

Molecular Properties

Compound Name3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate
PubChem CID123690492
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate
SMILESCOC(C)(C)[SiH2]CCCOC(=O)CC(C)=O
InChIInChI=1S/C11H22O4Si/c1-9(12)8-10(13)15-6-5-7-16-11(2,3)14-4/h5-8,16H2,1-4H3
InChIKeyUPUHUGFSQQEZGV-UHFFFAOYSA-N
XLogP0.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

18-(3-oxobutanoyloxy)octadecyl 3-oxobutanoate
CID 174867872
4-[4-(3-oxobutanoyloxy)butoxy]butyl 3-oxobutanoate
CID 19862823
3-chloropropyl 3-oxobutanoate
CID 10511540
3,3-dimethylbutyl 3-oxobutanoate
CID 13081174
4-methylhex-4-enyl 3-oxobutanoate
CID 141218480
tetradecyl 3-oxobutanoate
CID 3018053
tris(butyl 3-oxobutanoate);iron(3+)
CID 175088782
dodecyl 3-oxobutanoate;iridium(3+)
CID 159927112
methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
CID 160733376
butyl 3-oxobutanoate;ethyl 3-oxobutanoate
CID 146405980
(3-bromo-3-methylbutyl) 3-oxobutanoate
CID 174962981
CID 157257666
CID 157257666

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate?
The IUPAC name of 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate (CID 123690492) is 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate.
What is the SMILES notation for 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate?
The canonical SMILES for 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate is COC(C)(C)[SiH2]CCCOC(=O)CC(C)=O.
What is the InChIKey of 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate?
The InChIKey is UPUHUGFSQQEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-9(12)8-10(13)15-6-5-7-16-11(2,3)14-4/h5-8,16H2,1-4H3.
What are the key properties of 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate?
3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate has a molecular weight of 246.38 g/mol, XLogP of 0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate is sourced from PubChem (CID 123690492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).