4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one

C12H24O3Si — CID 589237

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CCOC(=O)C1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-12(4)7-8-14-10(13)9-12/h7-9H2,1-6H3
InChIKeyHDAMKTLQWNMTCJ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one

4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one (PubChem CID 589237) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one
PubChem CID589237
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CCOC(=O)C1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-12(4)7-8-14-10(13)9-12/h7-9H2,1-6H3
InChIKeyHDAMKTLQWNMTCJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
2-{4-[(Tert-butyldimethylsilyl)oxy]oxan-4-yl}acetaldehyde
CID 125511585
Mevalonic lactone, trimethylsilyl
CID 528660
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382
Mevalonolactone, diTMS
CID 6430481
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
4-[Tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
4-Tripropylsilyloxyoxane-2,6-dione
CID 53796603
4-Triethylsilyloxyoxane-2,6-dione
CID 53896446

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one (CID 589237) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one is CC1(O[Si](C)(C)C(C)(C)C)CCOC(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one?
The InChIKey is HDAMKTLQWNMTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-12(4)7-8-14-10(13)9-12/h7-9H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one has a molecular weight of 244.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methyloxan-2-one is sourced from PubChem (CID 589237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).