[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate

C15H24O4SSi — CID 11012898

IUPAC[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCC(O)C/C=C\[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O4SSi/c1-13-7-9-15(10-8-13)20(17,18)19-12-14(16)6-5-11-21(2,3)4/h5,7-11,14,16H,6,12H2,1-4H3/b11-5-
InChIKeyGGRYRDLFIRGEKZ-WZUFQYTHSA-N
MW328.51 g/mol
LogP2.88
Rot. Bonds7

About [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate

[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate (PubChem CID 11012898) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate
PubChem CID11012898
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCC(O)C/C=C\[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O4SSi/c1-13-7-9-15(10-8-13)20(17,18)19-12-14(16)6-5-11-21(2,3)4/h5,7-11,14,16H,6,12H2,1-4H3/b11-5-
InChIKeyGGRYRDLFIRGEKZ-WZUFQYTHSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(Z,2R)-2-hydroxyhex-4-enyl] 4-methylbenzenesulfonate
CID 10084502
[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methylphenyl)sulfonyloxypropoxy]phenoxy]propyl] 4-methylbenzenesulfonate
CID 98614974
[(2R)-2-hydroxydecyl] 4-methylbenzenesulfonate
CID 10019415
[(2S,3S)-3-hydroxy-1,4-bis-(4-methylphenyl)sulfonyloxybutan-2-yl]azanium
CID 59915616
[(2S)-2,5-dihydroxypentyl] 4-methylbenzenesulfonate
CID 11403090
2,3-dihydroxybutyl 4-methylbenzenesulfonate
CID 599294
2-hydroxybutyl 4-methylbenzenesulfonate;4-methylbenzenesulfonyl chloride;propane-1,2,3-triol
CID 158231290
[(Z,2S,3S)-3-chloro-2-hydroxyoct-5-enyl] 4-methylbenzenesulfonate
CID 141478983
[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhexyl] 4-methylbenzenesulfonate
CID 134842478
2,3-dihydroxypentyl 4-methylbenzenesulfonate
CID 14237203
[(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate
CID 10557292
[(2R,3S)-2-hydroxy-3-methylpentyl] 4-methylbenzenesulfonate
CID 59131945

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate?
The IUPAC name of [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate (CID 11012898) is [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate.
What is the SMILES notation for [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate?
The canonical SMILES for [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OCC(O)C/C=C\[Si](C)(C)C)cc1.
What is the InChIKey of [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate?
The InChIKey is GGRYRDLFIRGEKZ-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-13-7-9-15(10-8-13)20(17,18)19-12-14(16)6-5-11-21(2,3)4/h5,7-11,14,16H,6,12H2,1-4H3/b11-5-.
What are the key properties of [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate?
[(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate has a molecular weight of 328.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-hydroxy-5-trimethylsilylpent-4-enyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 11012898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).