propan-2-yl 2-triphenylstannylethanesulfonate

C23H26O3SSn — CID 5237307

IUPACpropan-2-yl 2-triphenylstannylethanesulfonate
SMILESCC(C)OS(=O)(=O)CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H11O3S.Sn/c3*1-2-4-6-5-3-1;1-4-9(6,7)8-5(2)3;/h3*1-5H;5H,1,4H2,2-3H3;
InChIKeyFFOYQFOLDDUBQE-UHFFFAOYSA-N
MW501.24 g/mol
LogP2.91
Rot. Bonds8

About propan-2-yl 2-triphenylstannylethanesulfonate

propan-2-yl 2-triphenylstannylethanesulfonate (PubChem CID 5237307) has the molecular formula C23H26O3SSn and a molecular weight of 501.24 g/mol. Its IUPAC name is propan-2-yl 2-triphenylstannylethanesulfonate.

Molecular Properties

Compound Namepropan-2-yl 2-triphenylstannylethanesulfonate
PubChem CID5237307
Molecular FormulaC23H26O3SSn
Molecular Weight501.24 g/mol
Exact Mass502.06
IUPAC Namepropan-2-yl 2-triphenylstannylethanesulfonate
SMILESCC(C)OS(=O)(=O)CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H11O3S.Sn/c3*1-2-4-6-5-3-1;1-4-9(6,7)8-5(2)3;/h3*1-5H;5H,1,4H2,2-3H3;
InChIKeyFFOYQFOLDDUBQE-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropan-2-yl butane-1,4-disulfonate
CID 168868085
triphenyl(5-triphenylstannylpentan-2-yl)stannane
CID 162183452
[(1S)-1-phenylethyl] methanesulfonate
CID 59868703
trimethyl(4-triphenylstannylbutyl)stannane
CID 71398041
(propan-2-yloxymethyldisulfanyl)benzene
CID 166551999
benzenesulfonylmethyl(triphenyl)stannane
CID 21409449
triphenyl(5-triphenylstannylhexan-2-yl)stannane
CID 162182753
propan-2-yl azulene-1-sulfonate
CID 154190789
propan-2-yl (2,3-dimethoxyphenyl)methanesulfonate
CID 22901832
triphenyl-[3-triphenylstannyl-2-(triphenylstannylmethyl)propyl]stannane
CID 13159095
diphenyl ethane-1,2-disulfonate
CID 4219954
7-(benzenesulfonyloxy)octan-2-yl benzenesulfonate
CID 89440776

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-triphenylstannylethanesulfonate?
The IUPAC name of propan-2-yl 2-triphenylstannylethanesulfonate (CID 5237307) is propan-2-yl 2-triphenylstannylethanesulfonate.
What is the SMILES notation for propan-2-yl 2-triphenylstannylethanesulfonate?
The canonical SMILES for propan-2-yl 2-triphenylstannylethanesulfonate is CC(C)OS(=O)(=O)CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of propan-2-yl 2-triphenylstannylethanesulfonate?
The InChIKey is FFOYQFOLDDUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H11O3S.Sn/c3*1-2-4-6-5-3-1;1-4-9(6,7)8-5(2)3;/h3*1-5H;5H,1,4H2,2-3H3;.
What are the key properties of propan-2-yl 2-triphenylstannylethanesulfonate?
propan-2-yl 2-triphenylstannylethanesulfonate has a molecular weight of 501.24 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-triphenylstannylethanesulfonate is sourced from PubChem (CID 5237307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).