(Z)-but-2-enedioate;hexanedioate

C10H10O8-4 — CID 86743702

IUPAC(Z)-but-2-enedioate;hexanedioate
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])CCCCC(=O)[O-]
InChIInChI=1S/C6H10O4.C4H4O4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/p-4/b;2-1-
InChIKeyZWFDBRUSCVLUPK-BTJKTKAUSA-J
MW258.18 g/mol
LogP-4.91
Rot. Bonds7

About (Z)-but-2-enedioate;hexanedioate

(Z)-but-2-enedioate;hexanedioate (PubChem CID 86743702) has the molecular formula C10H10O8-4 and a molecular weight of 258.18 g/mol. Its IUPAC name is (Z)-but-2-enedioate;hexanedioate.

Molecular Properties

Compound Name(Z)-but-2-enedioate;hexanedioate
PubChem CID86743702
Molecular FormulaC10H10O8-4
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Name(Z)-but-2-enedioate;hexanedioate
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])CCCCC(=O)[O-]
InChIInChI=1S/C6H10O4.C4H4O4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/p-4/b;2-1-
InChIKeyZWFDBRUSCVLUPK-BTJKTKAUSA-J
XLogP-4.91
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 5-4.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-oct-2-enedioate
CID 22622865
strontium hexanedioate
CID 134687758
cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964
calcium heptanedioate
CID 71587031

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;hexanedioate?
The IUPAC name of (Z)-but-2-enedioate;hexanedioate (CID 86743702) is (Z)-but-2-enedioate;hexanedioate.
What is the SMILES notation for (Z)-but-2-enedioate;hexanedioate?
The canonical SMILES for (Z)-but-2-enedioate;hexanedioate is O=C([O-])/C=C\C(=O)[O-].O=C([O-])CCCCC(=O)[O-].
What is the InChIKey of (Z)-but-2-enedioate;hexanedioate?
The InChIKey is ZWFDBRUSCVLUPK-BTJKTKAUSA-J. The full InChI is InChI=1S/C6H10O4.C4H4O4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/p-4/b;2-1-.
What are the key properties of (Z)-but-2-enedioate;hexanedioate?
(Z)-but-2-enedioate;hexanedioate has a molecular weight of 258.18 g/mol, XLogP of -4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;hexanedioate is sourced from PubChem (CID 86743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).