[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium

C6H8O4+2 — CID 134898092

IUPAC[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium
SMILES[H]/[O+]=C(\O)C1C=CC1/C(O)=[O+]/[H]
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10)/p+2
InChIKeyYHAJXZJGWSOHHZ-UHFFFAOYSA-P
MW144.13 g/mol
LogP-0.09
Rot. Bonds2

About [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium

[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium (PubChem CID 134898092) has the molecular formula C6H8O4+2 and a molecular weight of 144.13 g/mol. Its IUPAC name is [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium.

Molecular Properties

Compound Name[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium
PubChem CID134898092
Molecular FormulaC6H8O4+2
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium
SMILES[H]/[O+]=C(\O)C1C=CC1/C(O)=[O+]/[H]
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10)/p+2
InChIKeyYHAJXZJGWSOHHZ-UHFFFAOYSA-P
XLogP-0.09
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium?
The IUPAC name of [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium (CID 134898092) is [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium.
What is the SMILES notation for [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium?
The canonical SMILES for [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium is [H]/[O+]=C(\O)C1C=CC1/C(O)=[O+]/[H].
What is the InChIKey of [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium?
The InChIKey is YHAJXZJGWSOHHZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10)/p+2.
What are the key properties of [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium?
[hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium has a molecular weight of 144.13 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[4-[hydroxy(oxoniumylidene)methyl]cyclobut-2-en-1-yl]methylidene]oxidanium is sourced from PubChem (CID 134898092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).