butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione

C10H12O8 — CID 88728346

IUPACbutanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
SMILESO=C(O)CCC(=O)O.O=C1/C=C\C(=O)OCCO1
InChIInChI=1S/C6H6O4.C4H6O4/c7-5-1-2-6(8)10-4-3-9-5;5-3(6)1-2-4(7)8/h1-2H,3-4H2;1-2H2,(H,5,6)(H,7,8)/b2-1-;
InChIKeyPXIZIPYIHOSDGE-ODZAUARKSA-N
MW260.20 g/mol
LogP-0.42
Rot. Bonds3

About butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione

butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione (PubChem CID 88728346) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione.

Molecular Properties

Compound Namebutanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
PubChem CID88728346
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Namebutanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
SMILESO=C(O)CCC(=O)O.O=C1/C=C\C(=O)OCCO1
InChIInChI=1S/C6H6O4.C4H6O4/c7-5-1-2-6(8)10-4-3-9-5;5-3(6)1-2-4(7)8/h1-2H,3-4H2;1-2H2,(H,5,6)(H,7,8)/b2-1-;
InChIKeyPXIZIPYIHOSDGE-ODZAUARKSA-N
XLogP-0.42
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione?
The IUPAC name of butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione (CID 88728346) is butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione.
What is the SMILES notation for butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione?
The canonical SMILES for butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione is O=C(O)CCC(=O)O.O=C1/C=C\C(=O)OCCO1.
What is the InChIKey of butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione?
The InChIKey is PXIZIPYIHOSDGE-ODZAUARKSA-N. The full InChI is InChI=1S/C6H6O4.C4H6O4/c7-5-1-2-6(8)10-4-3-9-5;5-3(6)1-2-4(7)8/h1-2H,3-4H2;1-2H2,(H,5,6)(H,7,8)/b2-1-;.
What are the key properties of butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione?
butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione has a molecular weight of 260.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione is sourced from PubChem (CID 88728346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).