(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

C23H42O5SSi2 — CID 10814805

IUPAC(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC(=O)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O5SSi2/c1-22(2,3)30(7,8)27-17-20(28-31(9,10)23(4,5)6)16-19(24)18-29(25,26)21-14-12-11-13-15-21/h11-15,20H,16-18H2,1-10H3/t20-/m0/s1
InChIKeyBLZPRRLBSSSUFC-FQEVSTJZSA-N
MW486.82 g/mol
LogP5.83
Rot. Bonds10

About (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one

(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (PubChem CID 10814805) has the molecular formula C23H42O5SSi2 and a molecular weight of 486.82 g/mol. Its IUPAC name is (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.

Molecular Properties

Compound Name(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
PubChem CID10814805
Molecular FormulaC23H42O5SSi2
Molecular Weight486.82 g/mol
Exact Mass486.23
IUPAC Name(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC(=O)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O5SSi2/c1-22(2,3)30(7,8)27-17-20(28-31(9,10)23(4,5)6)16-19(24)18-29(25,26)21-14-12-11-13-15-21/h11-15,20H,16-18H2,1-10H3/t20-/m0/s1
InChIKeyBLZPRRLBSSSUFC-FQEVSTJZSA-N
XLogP5.83
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
(E,3S)-8-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-6-enal
CID 10432506
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(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
(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 11110960
1-(Benzenesulfonyl)-1-methoxy-5-(trimethylsilylmethyl)hex-5-en-2-one
CID 11727958
6-(Benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
CID 72747865
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane
CID 155931673

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The IUPAC name of (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one (CID 10814805) is (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one.
What is the SMILES notation for (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The canonical SMILES for (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is CC(C)(C)[Si](C)(C)OC[C@H](CC(=O)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
The InChIKey is BLZPRRLBSSSUFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H42O5SSi2/c1-22(2,3)30(7,8)27-17-20(28-31(9,10)23(4,5)6)16-19(24)18-29(25,26)21-14-12-11-13-15-21/h11-15,20H,16-18H2,1-10H3/t20-/m0/s1.
What are the key properties of (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one?
(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one has a molecular weight of 486.82 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one is sourced from PubChem (CID 10814805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).