4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one

C10H14O4 — CID 15208663

IUPAC4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
SMILESC=CC1(O)C(=O)C(OCC)=C1OCC
InChIInChI=1S/C10H14O4/c1-4-10(12)8(11)7(13-5-2)9(10)14-6-3/h4,12H,1,5-6H2,2-3H3
InChIKeyUOOHOXUGHAUVAH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.77
Rot. Bonds5

About 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one

4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one (PubChem CID 15208663) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
PubChem CID15208663
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
SMILESC=CC1(O)C(=O)C(OCC)=C1OCC
InChIInChI=1S/C10H14O4/c1-4-10(12)8(11)7(13-5-2)9(10)14-6-3/h4,12H,1,5-6H2,2-3H3
InChIKeyUOOHOXUGHAUVAH-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.77
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

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-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-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140283
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-di(propan-2-yloxy)-4-(trifluoromethyl)cyclobut-2-en-1-one
CID 132515194
4-Hydroxy-2,3-dimethoxy-4-prop-1-ynylcyclobut-2-en-1-one
CID 10749929
4-Hydroxy-2,3-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593188

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one?
The IUPAC name of 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one (CID 15208663) is 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one is C=CC1(O)C(=O)C(OCC)=C1OCC.
What is the InChIKey of 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one?
The InChIKey is UOOHOXUGHAUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-10(12)8(11)7(13-5-2)9(10)14-6-3/h4,12H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one?
4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one has a molecular weight of 198.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 15208663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).