5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione

C12H24O4Si — CID 121003661

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
SMILESCOC(CO[Si](C)(C)C(C)(C)C)C(=O)C(C)=O
InChIInChI=1S/C12H24O4Si/c1-9(13)11(14)10(15-5)8-16-17(6,7)12(2,3)4/h10H,8H2,1-7H3
InChIKeyHOWLIGPQAXVRNQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.18
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione

5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione (PubChem CID 121003661) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
PubChem CID121003661
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
SMILESCOC(CO[Si](C)(C)C(C)(C)C)C(=O)C(C)=O
InChIInChI=1S/C12H24O4Si/c1-9(13)11(14)10(15-5)8-16-17(6,7)12(2,3)4/h10H,8H2,1-7H3
InChIKeyHOWLIGPQAXVRNQ-UHFFFAOYSA-N
XLogP2.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethylpropanoylamino)oxypropanoate
CID 46939904
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
CID 90948310
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione (CID 121003661) is 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione is COC(CO[Si](C)(C)C(C)(C)C)C(=O)C(C)=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione?
The InChIKey is HOWLIGPQAXVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-9(13)11(14)10(15-5)8-16-17(6,7)12(2,3)4/h10H,8H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione?
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione has a molecular weight of 260.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione is sourced from PubChem (CID 121003661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).