4-tri(propan-2-yl)silyloxybutan-2-one

C13H28O2Si — CID 13398602

IUPAC4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,8-9H2,1-7H3
InChIKeyCUFWXAQIIQYJOD-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds7

About 4-tri(propan-2-yl)silyloxybutan-2-one

4-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 13398602) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID13398602
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,8-9H2,1-7H3
InChIKeyCUFWXAQIIQYJOD-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
CID 76597874
(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 102371780
4-[(2S)-3-methylbutan-2-yl]oxybutan-2-one
CID 170366778
4-tri(propan-2-yl)silyloxybutanethioamide
CID 146014175
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278
[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
CID 166436917
[3-methylidene-1-tri(propan-2-yl)silyloxyundec-4-yn-6-yl] acetate
CID 11618142
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
hexane-2,5-dione
CID 8035
4-methylperoxybutan-2-one
CID 20686661
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-(2-methyloxiran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 142701115

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of 4-tri(propan-2-yl)silyloxybutan-2-one (CID 13398602) is 4-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for 4-tri(propan-2-yl)silyloxybutan-2-one is CC(=O)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is CUFWXAQIIQYJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,8-9H2,1-7H3.
What are the key properties of 4-tri(propan-2-yl)silyloxybutan-2-one?
4-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 13398602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).