acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate

C8H10O12S — CID 174320667

IUPACacetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate
SMILESCC(=O)O.CC(=O)OC(=O)OS(=O)(=O)OC(=O)OC(C)=O
InChIInChI=1S/C6H6O10S.C2H4O2/c1-3(7)13-5(9)15-17(11,12)16-6(10)14-4(2)8;1-2(3)4/h1-2H3;1H3,(H,3,4)
InChIKeyYOVHEBQLINUUDW-UHFFFAOYSA-N
MW330.22 g/mol
LogP-0.28
Rot. Bonds2

About acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate

acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate (PubChem CID 174320667) has the molecular formula C8H10O12S and a molecular weight of 330.22 g/mol. Its IUPAC name is acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate.

Molecular Properties

Compound Nameacetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate
PubChem CID174320667
Molecular FormulaC8H10O12S
Molecular Weight330.22 g/mol
Exact Mass329.99
IUPAC Nameacetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate
SMILESCC(=O)O.CC(=O)OC(=O)OS(=O)(=O)OC(=O)OC(C)=O
InChIInChI=1S/C6H6O10S.C2H4O2/c1-3(7)13-5(9)15-17(11,12)16-6(10)14-4(2)8;1-2(3)4/h1-2H3;1H3,(H,3,4)
InChIKeyYOVHEBQLINUUDW-UHFFFAOYSA-N
XLogP-0.28
TPSA176.64 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetic acid;sulfuric acid
CID 172861121
acetic acid;sulfuric acid
CID 158118264
acetic acid;sulfuric acid
CID 157312003
CID 87972700
CID 87972700
acetic acid;ruthenium
CID 175502908
phosphanyloxycarbonyl acetate
CID 174844569
acetic acid;acetyl acetate;oxoborinic acid
CID 88675816
acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
CID 126843366
acetyl acetate;chromium(2+)
CID 19978523
acetyl acetate;hydrochloride
CID 87138027
CID 160689228
CID 160689228
acetic acid;methane;propoxycarbonyl acetate
CID 160736833

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate?
The IUPAC name of acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate (CID 174320667) is acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate.
What is the SMILES notation for acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate?
The canonical SMILES for acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate is CC(=O)O.CC(=O)OC(=O)OS(=O)(=O)OC(=O)OC(C)=O.
What is the InChIKey of acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate?
The InChIKey is YOVHEBQLINUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O10S.C2H4O2/c1-3(7)13-5(9)15-17(11,12)16-6(10)14-4(2)8;1-2(3)4/h1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate?
acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate has a molecular weight of 330.22 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate is sourced from PubChem (CID 174320667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).