3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one

C22H38O2Si — CID 15142242

IUPAC3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one
SMILESCCCCCC(CC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-8-9-11-16-20(17-21(23)19-14-12-10-13-15-19)24-25(6,7)22(4,5)18(2)3/h10,12-15,18,20H,8-9,11,16-17H2,1-7H3
InChIKeyHATXVFCLLKUUHS-UHFFFAOYSA-N
MW362.63 g/mol
LogP6.87
Rot. Bonds11

About 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one

3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one (PubChem CID 15142242) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one.

Molecular Properties

Compound Name3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one
PubChem CID15142242
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one
SMILESCCCCCC(CC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-8-9-11-16-20(17-21(23)19-14-12-10-13-15-19)24-25(6,7)22(4,5)18(2)3/h10,12-15,18,20H,8-9,11,16-17H2,1-7H3
InChIKeyHATXVFCLLKUUHS-UHFFFAOYSA-N
XLogP6.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.87
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

2-(5-Hexyldioxolan-3-yl)-1-phenylethanone
CID 155155993
Ethyl 2-benzoyloctadecanoate
CID 274320
Ethyl 2-benzoyl-3-methylbutanoate
CID 254519
1-Pentanone, 3-methoxy-1,5-diphenyl-
CID 11448568
3-Methoxy-1,4-diphenylbutan-1-one
CID 15888411
1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-
CID 3024709
3-Hydroxy-1-phenyl-1-hexadecanone
CID 131751842
3-Hydroxy-1-phenyl-1-heptadecanone
CID 131751843
3-Hydroxy-1-phenyl-1-octadecanone
CID 131751845
3-Hydroxy-1-phenyl-1-heneicosanone
CID 131751846
3-Hydroxy-1-phenyl-1-eicosanone
CID 131751977
(3S)-3-methoxy-1,5-diphenylpentan-1-one
CID 166632735

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one?
The IUPAC name of 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one (CID 15142242) is 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one.
What is the SMILES notation for 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one?
The canonical SMILES for 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one is CCCCCC(CC(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one?
The InChIKey is HATXVFCLLKUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-8-9-11-16-20(17-21(23)19-14-12-10-13-15-19)24-25(6,7)22(4,5)18(2)3/h10,12-15,18,20H,8-9,11,16-17H2,1-7H3.
What are the key properties of 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one?
3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one has a molecular weight of 362.63 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenyloctan-1-one is sourced from PubChem (CID 15142242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).