(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate

C10H10O6S — CID 10801175

IUPAC(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate
SMILESO=C(OC1COS(=O)(=O)OC1)c1ccccc1
InChIInChI=1S/C10H10O6S/c11-10(8-4-2-1-3-5-8)16-9-6-14-17(12,13)15-7-9/h1-5,9H,6-7H2
InChIKeyNGUCXDIDKAAQJQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.50
Rot. Bonds2

About (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate

(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate (PubChem CID 10801175) has the molecular formula C10H10O6S and a molecular weight of 258.25 g/mol. Its IUPAC name is (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate.

Molecular Properties

Compound Name(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate
PubChem CID10801175
Molecular FormulaC10H10O6S
Molecular Weight258.25 g/mol
Exact Mass258.02
IUPAC Name(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate
SMILESO=C(OC1COS(=O)(=O)OC1)c1ccccc1
InChIInChI=1S/C10H10O6S/c11-10(8-4-2-1-3-5-8)16-9-6-14-17(12,13)15-7-9/h1-5,9H,6-7H2
InChIKeyNGUCXDIDKAAQJQ-UHFFFAOYSA-N
XLogP0.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxycyclohexyl) benzoate
CID 101493670
(5-oxooxolan-3-yl) benzoate
CID 85106877
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
CID 87858468
CID 87858468
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
1,5-dithiocan-3-yl benzoate
CID 20737187
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate?
The IUPAC name of (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate (CID 10801175) is (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate.
What is the SMILES notation for (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate?
The canonical SMILES for (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate is O=C(OC1COS(=O)(=O)OC1)c1ccccc1.
What is the InChIKey of (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate?
The InChIKey is NGUCXDIDKAAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6S/c11-10(8-4-2-1-3-5-8)16-9-6-14-17(12,13)15-7-9/h1-5,9H,6-7H2.
What are the key properties of (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate?
(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate has a molecular weight of 258.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate is sourced from PubChem (CID 10801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).