5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one

C13H28O2Si — CID 10332089

IUPAC5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one
SMILESCC(=O)CCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)13(4,5)16(6,7)15-10-8-9-12(3)14/h11H,8-10H2,1-7H3
InChIKeyDPEPCADQJSYIGY-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds7

About 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one

5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one (PubChem CID 10332089) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one.

Molecular Properties

Compound Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one
PubChem CID10332089
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one
SMILESCC(=O)CCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)13(4,5)16(6,7)15-10-8-9-12(3)14/h11H,8-10H2,1-7H3
InChIKeyDPEPCADQJSYIGY-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
CID 10680263
1-[Tert-butyl(dimethyl)silyl]oxypentane-2,4-dione
CID 59748577
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
CID 10657116
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylhexan-3-one
CID 101776532
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 11368226
(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-one
CID 11746464
1-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
5-Trimethylsiloxypentan-2-one
CID 13609938
5-Triethylsilyloxypentan-2-one
CID 18622862
3-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclobutan-1-one
CID 53396994
5-[Tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentan-2-one
CID 57859831
5-[Tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one?
The IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one (CID 10332089) is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one.
What is the SMILES notation for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one?
The canonical SMILES for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one is CC(=O)CCCO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one?
The InChIKey is DPEPCADQJSYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(2)13(4,5)16(6,7)15-10-8-9-12(3)14/h11H,8-10H2,1-7H3.
What are the key properties of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one?
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypentan-2-one is sourced from PubChem (CID 10332089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).