4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one

C11H26O3Si2 — CID 91696516

IUPAC4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one
SMILESCC(=O)C(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(12)11(8-13-15(2,3)4)9-14-16(5,6)7/h11H,8-9H2,1-7H3
InChIKeyBEKFOTVKAAFZTN-UHFFFAOYSA-N
MW262.50 g/mol
LogP2.89
Rot. Bonds7

About 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one

4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one (PubChem CID 91696516) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one.

Molecular Properties

Compound Name4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one
PubChem CID91696516
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Name4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one
SMILESCC(=O)C(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(12)11(8-13-15(2,3)4)9-14-16(5,6)7/h11H,8-9H2,1-7H3
InChIKeyBEKFOTVKAAFZTN-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
CID 11030898
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
4-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
CID 15142237
(3S)-3-methyl-4-triethylsilyloxybutan-2-one
CID 23624325
3-Methyl-2-butanone, 4-t-butyldimethylsilyloxy-
CID 594310
4-[(Trimethylsilyl)oxy]-3,3-bis{[(trimethylsilyl)oxy]methyl}butan-2-one
CID 91696713
2-Butanone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-, (3S)-
CID 11229680
4-[Methoxy(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 57564626
(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one
CID 10967189
(3R)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one
CID 11482324
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one
CID 11658493
3-Methyl-4-triethylsilyloxybutan-2-one
CID 12008019

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one?
The IUPAC name of 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one (CID 91696516) is 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one.
What is the SMILES notation for 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one?
The canonical SMILES for 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one is CC(=O)C(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one?
The InChIKey is BEKFOTVKAAFZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-10(12)11(8-13-15(2,3)4)9-14-16(5,6)7/h11H,8-9H2,1-7H3.
What are the key properties of 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one?
4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one has a molecular weight of 262.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)butan-2-one is sourced from PubChem (CID 91696516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).