5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one

C23H32O2S2Si — CID 59850525

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C23H32O2S2Si/c1-19(24)23(26-20-13-9-7-10-14-20,27-21-15-11-8-12-16-21)17-18-25-28(5,6)22(2,3)4/h7-16H,17-18H2,1-6H3
InChIKeyGIYMNIGNOAYPMK-UHFFFAOYSA-N
MW432.73 g/mol
LogP7.27
Rot. Bonds9

About 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one

5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one (PubChem CID 59850525) has the molecular formula C23H32O2S2Si and a molecular weight of 432.73 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one
PubChem CID59850525
Molecular FormulaC23H32O2S2Si
Molecular Weight432.73 g/mol
Exact Mass432.16
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one
SMILESCC(=O)C(CCO[Si](C)(C)C(C)(C)C)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C23H32O2S2Si/c1-19(24)23(26-20-13-9-7-10-14-20,27-21-15-11-8-12-16-21)17-18-25-28(5,6)22(2,3)4/h7-16H,17-18H2,1-6H3
InChIKeyGIYMNIGNOAYPMK-UHFFFAOYSA-N
XLogP7.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-Bis(phenylsulfanyl)butoxy-tert-butyl-dimethylsilane
CID 25016402
5-[Bis(phenylsulfanyl)methoxy]pentoxy-tert-butyl-dimethylsilane
CID 135006205
tert-butyl-dimethyl-[(5Z)-5-phenylsulfanylnona-5,8-dienoxy]silane
CID 102157404
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanylcyclohex-2-en-1-one
CID 102181040
S-phenyl 3-[tert-butyl(dimethyl)silyl]oxybutanethioate
CID 13712782
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2,2-bis(phenylsulfanyl)butanoate
CID 140532047
4-Phenylsulfanylbutan-2-one;trimethyl(4-phenylsulfanylbut-1-en-2-yloxy)silane
CID 160976355
5,5-Bis(phenylsulfanyl)pentoxy-tert-butyl-dimethylsilane
CID 173798642
1-(Benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 10760631
trans-(3S,4S)-3-[bis(phenylsulfanyl)methyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopentan-1-one
CID 10939654
tert-butyl-dimethyl-[(Z)-6-phenylselanyl-5-phenylsulfanylhex-5-enoxy]silane
CID 11374991
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanylcyclohex-2-en-1-one
CID 56600213

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one (CID 59850525) is 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one is CC(=O)C(CCO[Si](C)(C)C(C)(C)C)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one?
The InChIKey is GIYMNIGNOAYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2S2Si/c1-19(24)23(26-20-13-9-7-10-14-20,27-21-15-11-8-12-16-21)17-18-25-28(5,6)22(2,3)4/h7-16H,17-18H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one has a molecular weight of 432.73 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3,3-bis(phenylsulfanyl)pentan-2-one is sourced from PubChem (CID 59850525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).