6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one

C19H32O3SSi — CID 19096687

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one
SMILESCc1ccc(S(=O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13H,7-9,14-15H2,1-6H3
InChIKeyORIDIETVJDHNML-UHFFFAOYSA-N
MW368.62 g/mol
LogP4.86
Rot. Bonds9

About 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one

6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one (PubChem CID 19096687) has the molecular formula C19H32O3SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one
PubChem CID19096687
Molecular FormulaC19H32O3SSi
Molecular Weight368.62 g/mol
Exact Mass368.18
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one
SMILESCc1ccc(S(=O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13H,7-9,14-15H2,1-6H3
InChIKeyORIDIETVJDHNML-UHFFFAOYSA-N
XLogP4.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(4-methylphenyl)sulfonyloctan-4-one
CID 10001750
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 12061432
trimethyl-[(2E)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
CID 13610767
trans-(3S,5S)-3-(4-methylphenyl)sulfanyl-5-trimethylsilylcyclohexan-1-one
CID 14001318
trans-(3R,5R)-3-(4-methylphenyl)sulfanyl-5-trimethylsilylcyclohexan-1-one
CID 14001321
2-methyl-6-[(S)-(4-methylphenyl)sulfinyl]nona-1,8-dien-5-one
CID 14786699
tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
CID 24881766
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)sulfinylbutanoate
CID 101051233
(6R)-6-hydroxy-7-[(S)-(4-methylphenyl)sulfinyl]heptan-2-one
CID 134896224
tert-butyl-dimethyl-[(E)-4-[(R)-(4-methylphenyl)sulfinyl]but-3-enoxy]silane
CID 134933295
trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
CID 134933400

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one (CID 19096687) is 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one is Cc1ccc(S(=O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one?
The InChIKey is ORIDIETVJDHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3SSi/c1-16-10-12-18(13-11-16)23(21)15-17(20)9-7-8-14-22-24(5,6)19(2,3)4/h10-13H,7-9,14-15H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one?
6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one has a molecular weight of 368.62 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhexan-2-one is sourced from PubChem (CID 19096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).