(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene

C15H24O8 — CID 173439655

IUPAC(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene
SMILESC=C.C=CC.O=C(O)/C=C\C(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H4O4.C3H6.C2H4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3-2;1-2/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b;2-1-;;
InChIKeyWUZCBXVWYVQXBC-IUJXYRIYSA-N
MW332.35 g/mol
LogP2.42
Rot. Bonds7

About (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene

(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene (PubChem CID 173439655) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene
PubChem CID173439655
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene
SMILESC=C.C=CC.O=C(O)/C=C\C(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H4O4.C3H6.C2H4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3-2;1-2/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b;2-1-;;
InChIKeyWUZCBXVWYVQXBC-IUJXYRIYSA-N
XLogP2.42
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;hexanedioic acid
CID 87949231
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
but-2-enedioic acid;decanoic acid
CID 173319986
(Z)-but-2-enedioic acid;hexadecanoic acid
CID 160962830
ethene;hexanedioic acid
CID 173462672
decanedioic acid;prop-2-enoic acid
CID 87433899
calcium;(Z)-but-2-enedioic acid;hydride;prop-1-ene
CID 174748492
acetic acid;butanedioic acid;(E)-but-2-enedioic acid
CID 158453165
heptakis(decanedioic acid);ethene
CID 173236204
potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
CID 174787387

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene?
The IUPAC name of (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene (CID 173439655) is (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene?
The canonical SMILES for (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene is C=C.C=CC.O=C(O)/C=C\C(=O)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene?
The InChIKey is WUZCBXVWYVQXBC-IUJXYRIYSA-N. The full InChI is InChI=1S/C6H10O4.C4H4O4.C3H6.C2H4/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3-2;1-2/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;1-2H2/b;2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene?
(Z)-but-2-enedioic acid;ethene;hexanedioic acid;prop-1-ene has a molecular weight of 332.35 g/mol, XLogP of 2.42, 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;ethene;hexanedioic acid;prop-1-ene is sourced from PubChem (CID 173439655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).