4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one

C7H10O4 — CID 10261343

IUPAC4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C)(O)C1=O
InChIInChI=1S/C7H10O4/c1-7(9)5(8)4(10-2)6(7)11-3/h9H,1-3H3
InChIKeyPTQMLCKHODRRNV-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.18
Rot. Bonds2

About 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one

4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one (PubChem CID 10261343) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one
PubChem CID10261343
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one
SMILESCOC1=C(OC)C(C)(O)C1=O
InChIInChI=1S/C7H10O4/c1-7(9)5(8)4(10-2)6(7)11-3/h9H,1-3H3
InChIKeyPTQMLCKHODRRNV-UHFFFAOYSA-N
XLogP-0.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Ethoxyethynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 85574270
Ethyl 3-(1-hydroxy-2,3-dimethoxy-4-oxocyclobut-2-en-1-yl)prop-2-ynoate
CID 134892974
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-(3-Hept-2-ynoxyprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10447042
4-Hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
CID 10592256
4-Hydroxy-4-pent-1-ynyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10978398
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-Ethyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155932016
4-Hydroxy-2,3-di(propan-2-yloxy)-4-(trifluoromethyl)cyclobut-2-en-1-one
CID 132515194

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one (CID 10261343) is 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one is COC1=C(OC)C(C)(O)C1=O.
What is the InChIKey of 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one?
The InChIKey is PTQMLCKHODRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(9)5(8)4(10-2)6(7)11-3/h9H,1-3H3.
What are the key properties of 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one?
4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one has a molecular weight of 158.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one is sourced from PubChem (CID 10261343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).