6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane

C21H38O3SSi — CID 72747865

IUPAC6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
SMILESCC(CCCCS(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O3SSi/c1-17(2)26(18(3)4,19(5)6)24-20(7)13-11-12-16-25(22,23)21-14-9-8-10-15-21/h8-10,14-15,17-20H,11-13,16H2,1-7H3
InChIKeyLCBVYLHKGJEIRC-UHFFFAOYSA-N
MW398.69 g/mol
LogP6.21
Rot. Bonds11

About 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane

6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane (PubChem CID 72747865) has the molecular formula C21H38O3SSi and a molecular weight of 398.69 g/mol. Its IUPAC name is 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
PubChem CID72747865
Molecular FormulaC21H38O3SSi
Molecular Weight398.69 g/mol
Exact Mass398.23
IUPAC Name6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
SMILESCC(CCCCS(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O3SSi/c1-17(2)26(18(3)4,19(5)6)24-20(7)13-11-12-16-25(22,23)21-14-9-8-10-15-21/h8-10,14-15,17-20H,11-13,16H2,1-7H3
InChIKeyLCBVYLHKGJEIRC-UHFFFAOYSA-N
XLogP6.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.69
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
AG-G-90643
CID 2724975
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
2-(Benzenesulfonyl)heptan-3-ol
CID 12776914
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
[2-(Benzenesulfonyl)ethenyl](trimethyl)silane
CID 14384747

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane (CID 72747865) is 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane is CC(CCCCS(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane?
The InChIKey is LCBVYLHKGJEIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3SSi/c1-17(2)26(18(3)4,19(5)6)24-20(7)13-11-12-16-25(22,23)21-14-9-8-10-15-21/h8-10,14-15,17-20H,11-13,16H2,1-7H3.
What are the key properties of 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane?
6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane has a molecular weight of 398.69 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 72747865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).