4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

C8H10O4 — CID 15686145

IUPAC4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESC=CC1(O)C(=O)C(OC)=C1OC
InChIInChI=1S/C8H10O4/c1-4-8(10)6(9)5(11-2)7(8)12-3/h4,10H,1H2,2-3H3
InChIKeyTZJNWQHEQATZNB-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.01
Rot. Bonds3

About 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (PubChem CID 15686145) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
PubChem CID15686145
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESC=CC1(O)C(=O)C(OC)=C1OC
InChIInChI=1S/C8H10O4/c1-4-8(10)6(9)5(11-2)7(8)12-3/h4,10H,1H2,2-3H3
InChIKeyTZJNWQHEQATZNB-UHFFFAOYSA-N
XLogP-0.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-hydroxy-2,5-dimethoxy-4-prop-2-enylcyclohexa-2,5-dien-1-one
CID 52913670
4-(2-Ethoxyethynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 85574270
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-Ethenyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11229870
4-Hex-1-ynyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14169194
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215
4-Hydroxy-2,3-dimethoxy-4-[3-(3-methoxyprop-2-ynoxy)prop-1-ynyl]cyclobut-2-en-1-one
CID 134873578
4-Hydroxy-2,3-dimethoxy-4-prop-1-ynylcyclobut-2-en-1-one
CID 10749929
4-[(5R)-5,9-dimethyldeca-1,2,8-trienyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10780988
4-Hydroxy-2,3-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593188
4-Ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 15208663
(4S)-4-hydroxy-2,3-dimethoxy-4-prop-1-ynylcyclobut-2-en-1-one
CID 76764183

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The IUPAC name of 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (CID 15686145) is 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.
What is the SMILES notation for 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The canonical SMILES for 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is C=CC1(O)C(=O)C(OC)=C1OC.
What is the InChIKey of 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The InChIKey is TZJNWQHEQATZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-8(10)6(9)5(11-2)7(8)12-3/h4,10H,1H2,2-3H3.
What are the key properties of 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one has a molecular weight of 170.16 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is sourced from PubChem (CID 15686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).