[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane

C20H32O4SSi — CID 11280937

IUPAC[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC1=C(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C20H32O4SSi/c1-7-11-18-19(25(21,22)17-12-9-8-10-13-17)14-16(15-23-18)24-26(5,6)20(2,3)4/h8-10,12-13,16H,7,11,14-15H2,1-6H3/t16-/m1/s1
InChIKeyOVCSOYUNOBMCMX-MRXNPFEDSA-N
MW396.63 g/mol
LogP5.28
Rot. Bonds6

About [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane

[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11280937) has the molecular formula C20H32O4SSi and a molecular weight of 396.63 g/mol. Its IUPAC name is [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11280937
Molecular FormulaC20H32O4SSi
Molecular Weight396.63 g/mol
Exact Mass396.18
IUPAC Name[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC1=C(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C20H32O4SSi/c1-7-11-18-19(25(21,22)17-12-9-8-10-13-17)14-16(15-23-18)24-26(5,6)20(2,3)4/h8-10,12-13,16H,7,11,14-15H2,1-6H3/t16-/m1/s1
InChIKeyOVCSOYUNOBMCMX-MRXNPFEDSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.63
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane (CID 11280937) is [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane is CCCC1=C(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OVCSOYUNOBMCMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32O4SSi/c1-7-11-18-19(25(21,22)17-12-9-8-10-13-17)14-16(15-23-18)24-26(5,6)20(2,3)4/h8-10,12-13,16H,7,11,14-15H2,1-6H3/t16-/m1/s1.
What are the key properties of [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 396.63 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(benzenesulfonyl)-6-propyl-3,4-dihydro-2H-pyran-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11280937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).