methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate

C18H30O5SSi — CID 11058149

IUPACmethyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCOC(=O)C(C[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O5SSi/c1-14(23-25(6,7)18(2,3)4)13-16(17(19)22-5)24(20,21)15-11-9-8-10-12-15/h8-12,14,16H,13H2,1-7H3/t14-,16?/m0/s1
InChIKeyBLQMTGVFSHRRSY-LBAUFKAWSA-N
MW386.59 g/mol
LogP3.80
Rot. Bonds7

About methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate

methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 11058149) has the molecular formula C18H30O5SSi and a molecular weight of 386.59 g/mol. Its IUPAC name is methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Namemethyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID11058149
Molecular FormulaC18H30O5SSi
Molecular Weight386.59 g/mol
Exact Mass386.16
IUPAC Namemethyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCOC(=O)C(C[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O5SSi/c1-14(23-25(6,7)18(2,3)4)13-16(17(19)22-5)24(20,21)15-11-9-8-10-12-15/h8-12,14,16H,13H2,1-7H3/t14-,16?/m0/s1
InChIKeyBLQMTGVFSHRRSY-LBAUFKAWSA-N
XLogP3.80
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 53.80
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

Pokqvywtzkeiiy-uhfffaoysa-
CID 11100654
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
CID 11064511
methyl (3S,4R)-2-(benzenesulfonyl)-4-(methoxymethoxy)-3-methylpentanoate
CID 11727248
1-(Benzenesulfonyl)-1-methoxy-5-(trimethylsilylmethyl)hex-5-en-2-one
CID 11727958
methyl (4E)-2-(benzenesulfonyl)deca-4,9-dienoate
CID 15564220
ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate
CID 53304615
6-(Benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
CID 72747865
Methyl 2-(benzenesulfonyl)-4,5-dimethylhex-4-enoate
CID 85642506
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
methyl (3S)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 102238800

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 11058149) is methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate is COC(=O)C(C[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is BLQMTGVFSHRRSY-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H30O5SSi/c1-14(23-25(6,7)18(2,3)4)13-16(17(19)22-5)24(20,21)15-11-9-8-10-12-15/h8-12,14,16H,13H2,1-7H3/t14-,16?/m0/s1.
What are the key properties of methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate?
methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 386.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 11058149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).