ethene-1,1,2,2-tetracarbaldehyde

C6H4O4 — CID 163296647

IUPACethene-1,1,2,2-tetracarbaldehyde
SMILESO=CC(C=O)=C(C=O)C=O
InChIInChI=1S/C6H4O4/c7-1-5(2-8)6(3-9)4-10/h1-4H
InChIKeyNISDJYLFAPBDPG-UHFFFAOYSA-N
MW140.09 g/mol
LogP-0.92
Rot. Bonds4

About ethene-1,1,2,2-tetracarbaldehyde

ethene-1,1,2,2-tetracarbaldehyde (PubChem CID 163296647) has the molecular formula C6H4O4 and a molecular weight of 140.09 g/mol. Its IUPAC name is ethene-1,1,2,2-tetracarbaldehyde.

Molecular Properties

Compound Nameethene-1,1,2,2-tetracarbaldehyde
PubChem CID163296647
Molecular FormulaC6H4O4
Molecular Weight140.09 g/mol
Exact Mass140.01
IUPAC Nameethene-1,1,2,2-tetracarbaldehyde
SMILESO=CC(C=O)=C(C=O)C=O
InChIInChI=1S/C6H4O4/c7-1-5(2-8)6(3-9)4-10/h1-4H
InChIKeyNISDJYLFAPBDPG-UHFFFAOYSA-N
XLogP-0.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethylbutenedial
CID 433651
Dimethyl maleic aldehyde
CID 6858156
2-(2-Oxoethenylidene)propanedial
CID 123503923
(E)-2,3-dimethylbut-2-enedial
CID 6284863
2-Propan-2-ylidenepropanedial
CID 11251980
(Oxomethylidene)propanedial
CID 71361576
Prop-1-ene-1,1,2-tricarbaldehyde
CID 140568585

Frequently Asked Questions

What is the IUPAC name of ethene-1,1,2,2-tetracarbaldehyde?
The IUPAC name of ethene-1,1,2,2-tetracarbaldehyde (CID 163296647) is ethene-1,1,2,2-tetracarbaldehyde.
What is the SMILES notation for ethene-1,1,2,2-tetracarbaldehyde?
The canonical SMILES for ethene-1,1,2,2-tetracarbaldehyde is O=CC(C=O)=C(C=O)C=O.
What is the InChIKey of ethene-1,1,2,2-tetracarbaldehyde?
The InChIKey is NISDJYLFAPBDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4/c7-1-5(2-8)6(3-9)4-10/h1-4H.
What are the key properties of ethene-1,1,2,2-tetracarbaldehyde?
ethene-1,1,2,2-tetracarbaldehyde has a molecular weight of 140.09 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,1,2,2-tetracarbaldehyde is sourced from PubChem (CID 163296647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).