1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one

C18H30O3SSi — CID 10760631

IUPAC1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCC(CCC(=O)CS(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O3SSi/c1-15(21-23(5,6)18(2,3)4)12-13-16(19)14-22(20)17-10-8-7-9-11-17/h7-11,15H,12-14H2,1-6H3
InChIKeyYDOGZXGCYNCAHW-UHFFFAOYSA-N
MW354.59 g/mol
LogP4.55
Rot. Bonds8

About 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one

1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (PubChem CID 10760631) has the molecular formula C18H30O3SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.

Molecular Properties

Compound Name1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
PubChem CID10760631
Molecular FormulaC18H30O3SSi
Molecular Weight354.59 g/mol
Exact Mass354.17
IUPAC Name1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCC(CCC(=O)CS(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O3SSi/c1-15(21-23(5,6)18(2,3)4)12-13-16(19)14-22(20)17-10-8-7-9-11-17/h7-11,15H,12-14H2,1-6H3
InChIKeyYDOGZXGCYNCAHW-UHFFFAOYSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.55
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

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)sulfanylcyclopentan-1-one
CID 10308806
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(4-methylphenyl)sulfonyloctan-4-one
CID 10001750
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11058149
(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one
CID 11068612
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
1-(Benzenesulfonyl)-1-methoxy-5-(trimethylsilylmethyl)hex-5-en-2-one
CID 11727958
3-(t-Butyl-dimethylsiloxy)butyl phenyl sulfide
CID 14807388
6-(Benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
CID 72747865

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The IUPAC name of 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (CID 10760631) is 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.
What is the SMILES notation for 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The canonical SMILES for 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is CC(CCC(=O)CS(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The InChIKey is YDOGZXGCYNCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3SSi/c1-15(21-23(5,6)18(2,3)4)12-13-16(19)14-22(20)17-10-8-7-9-11-17/h7-11,15H,12-14H2,1-6H3.
What are the key properties of 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one has a molecular weight of 354.59 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is sourced from PubChem (CID 10760631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).