3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione

C16H32O3Si — CID 135043007

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)15(18)11-14(13(3)17)9-10-19-20(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3
InChIKeyXTVOHFKQONRECV-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.22
Rot. Bonds8

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione (PubChem CID 135043007) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
PubChem CID135043007
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)15(18)11-14(13(3)17)9-10-19-20(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3
InChIKeyXTVOHFKQONRECV-UHFFFAOYSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.22
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

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
6-Methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
CID 134838764
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
CID 135039023
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
3-(2-{[tert-Butyl(dimethyl)silyl]oxy}ethyl)cyclopentan-1-one
CID 13294358

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione (CID 135043007) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione is CC(=O)C(CCO[Si](C)(C)C(C)(C)C)CC(=O)C(C)C.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione?
The InChIKey is XTVOHFKQONRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)15(18)11-14(13(3)17)9-10-19-20(7,8)16(4,5)6/h12,14H,9-11H2,1-8H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione has a molecular weight of 300.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione is sourced from PubChem (CID 135043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).