(Z)-but-2-enedioic acid;hexanedioic acid

C10H14O8 — CID 87949231

IUPAC(Z)-but-2-enedioic acid;hexanedioic acid
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)/b;2-1-
InChIKeyZWFDBRUSCVLUPK-BTJKTKAUSA-N
MW262.21 g/mol
LogP0.43
Rot. Bonds7

About (Z)-but-2-enedioic acid;hexanedioic acid

(Z)-but-2-enedioic acid;hexanedioic acid (PubChem CID 87949231) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;hexanedioic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;hexanedioic acid
PubChem CID87949231
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(Z)-but-2-enedioic acid;hexanedioic acid
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)/b;2-1-
InChIKeyZWFDBRUSCVLUPK-BTJKTKAUSA-N
XLogP0.43
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

butanedioic acid;bis(but-2-enedioic acid);hexanedioic acid
CID 172744714
(Z)-but-2-enedioic acid;decanoic acid
CID 172806359
(Z)-but-2-enedioic acid;docosanoic acid
CID 175696241
(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene
CID 173439655
but-2-enedioic acid;decanoic acid
CID 173319986
(Z)-but-2-enedioic acid;hexadecanoic acid
CID 160962830
potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
CID 174787387
(Z)-but-2-enedioic acid;hexanedioic acid;terephthalic acid
CID 174787525
barium(2+);butanedioic acid;(Z)-but-2-enedioic acid;hydride
CID 175564709
acetic acid;butanedioic acid;(E)-but-2-enedioic acid
CID 158453165
5-(3-carboxyprop-2-enoylamino)pentanoic acid
CID 54175849
(Z)-undec-2-enedioic acid
CID 59435158

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;hexanedioic acid?
The IUPAC name of (Z)-but-2-enedioic acid;hexanedioic acid (CID 87949231) is (Z)-but-2-enedioic acid;hexanedioic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;hexanedioic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;hexanedioic acid is O=C(O)/C=C\C(=O)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;hexanedioic acid?
The InChIKey is ZWFDBRUSCVLUPK-BTJKTKAUSA-N. 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)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;hexanedioic acid?
(Z)-but-2-enedioic acid;hexanedioic acid has a molecular weight of 262.21 g/mol, XLogP of 0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;hexanedioic acid is sourced from PubChem (CID 87949231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).