[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate

C8H8O8 — CID 175101712

IUPAC[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate
SMILESO.O.O.O.O=C=C1C(=C=O)C(=C=O)C1=C=O
InChIInChI=1S/C8O4.4H2O/c9-1-5-6(2-10)8(4-12)7(5)3-11;;;;/h;4*1H2
InChIKeyGXQZZWKTQRRWQZ-UHFFFAOYSA-N
MW232.14 g/mol
LogP-4.27
Rot. Bonds

About [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate

[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate (PubChem CID 175101712) has the molecular formula C8H8O8 and a molecular weight of 232.14 g/mol. Its IUPAC name is [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate.

Molecular Properties

Compound Name[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate
PubChem CID175101712
Molecular FormulaC8H8O8
Molecular Weight232.14 g/mol
Exact Mass232.02
IUPAC Name[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate
SMILESO.O.O.O.O=C=C1C(=C=O)C(=C=O)C1=C=O
InChIInChI=1S/C8O4.4H2O/c9-1-5-6(2-10)8(4-12)7(5)3-11;;;;/h;4*1H2
InChIKeyGXQZZWKTQRRWQZ-UHFFFAOYSA-N
XLogP-4.27
TPSA194.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 5-4.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate?
The IUPAC name of [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate (CID 175101712) is [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate.
What is the SMILES notation for [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate?
The canonical SMILES for [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate is O.O.O.O.O=C=C1C(=C=O)C(=C=O)C1=C=O.
What is the InChIKey of [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate?
The InChIKey is GXQZZWKTQRRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8O4.4H2O/c9-1-5-6(2-10)8(4-12)7(5)3-11;;;;/h;4*1H2.
What are the key properties of [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate?
[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate has a molecular weight of 232.14 g/mol, XLogP of -4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate is sourced from PubChem (CID 175101712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).