6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione

C19H38O3Si — CID 134838764

IUPAC6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
SMILESCC(=O)C(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)C(C)C
InChIInChI=1S/C19H38O3Si/c1-13(2)19(21)12-18(17(9)20)10-11-22-23(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3
InChIKeyGMFSKWMXAMNFAD-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.39
Rot. Bonds11

About 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione

6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione (PubChem CID 134838764) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
PubChem CID134838764
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
SMILESCC(=O)C(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)C(C)C
InChIInChI=1S/C19H38O3Si/c1-13(2)19(21)12-18(17(9)20)10-11-22-23(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3
InChIKeyGMFSKWMXAMNFAD-UHFFFAOYSA-N
XLogP5.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.39
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-butyldimethylsilyloxy)methyl)cyclohexanone
CID 59734106
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
CID 135039023
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
CID 135043007
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
5-(2-Hydroxy-1-methylethyl)-2-methylcyclohexanone, TBDMS derivative
CID 614805
trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one
CID 10860399
trans-(2S,5R)-2-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11109768
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-3-one
CID 11778781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione?
The IUPAC name of 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione (CID 134838764) is 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione.
What is the SMILES notation for 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione?
The canonical SMILES for 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione is CC(=O)C(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)C(C)C.
What is the InChIKey of 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione?
The InChIKey is GMFSKWMXAMNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-13(2)19(21)12-18(17(9)20)10-11-22-23(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3.
What are the key properties of 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione?
6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione has a molecular weight of 342.60 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione is sourced from PubChem (CID 134838764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).