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

C20H20O4 — CID 67731875

IUPAC(Z)-but-2-enedioic acid;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C8H8.C4H4O4/c2*1-2-8-6-4-3-5-7-8;5-3(6)1-2-4(7)8/h2*2-7H,1H2;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyJJROTBCFPICVLI-KSBRXOFISA-N
MW324.38 g/mol
LogP4.37
Rot. Bonds4

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

(Z)-but-2-enedioic acid;styrene (PubChem CID 67731875) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;styrene.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;styrene
PubChem CID67731875
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(Z)-but-2-enedioic acid;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C8H8.C4H4O4/c2*1-2-8-6-4-3-5-7-8;5-3(6)1-2-4(7)8/h2*2-7H,1H2;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyJJROTBCFPICVLI-KSBRXOFISA-N
XLogP4.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene
CID 158962014
but-2-enedioic acid;ethane-1,2-diol;styrene
CID 157276113
prop-2-enoic acid;styrene
CID 160851252
4-oxohepta-2,5-dienedioic acid;phenol;styrene
CID 160597958
buta-1,3-diene;3-phenylprop-2-enoic acid;styrene
CID 158154064
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
CID 173404758
CID 173404758
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
hydroxylamine;styrene
CID 18314782
formaldehyde;molybdenum;styrene
CID 173281730

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;styrene?
The IUPAC name of (Z)-but-2-enedioic acid;styrene (CID 67731875) is (Z)-but-2-enedioic acid;styrene.
What is the SMILES notation for (Z)-but-2-enedioic acid;styrene?
The canonical SMILES for (Z)-but-2-enedioic acid;styrene is C=Cc1ccccc1.C=Cc1ccccc1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;styrene?
The InChIKey is JJROTBCFPICVLI-KSBRXOFISA-N. The full InChI is InChI=1S/2C8H8.C4H4O4/c2*1-2-8-6-4-3-5-7-8;5-3(6)1-2-4(7)8/h2*2-7H,1H2;1-2H,(H,5,6)(H,7,8)/b;;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;styrene?
(Z)-but-2-enedioic acid;styrene has a molecular weight of 324.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;styrene is sourced from PubChem (CID 67731875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).