2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one

C11H14O3 — CID 14593194

IUPAC2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(OC)C(=O)C(C=C)=C1OC
InChIInChI=1S/C11H14O3/c1-5-7-11(14-4)9(12)8(6-2)10(11)13-3/h5-6H,1-2,7H2,3-4H3
InChIKeyWHFCRPCFIZIVON-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds5

About 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one

2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one (PubChem CID 14593194) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
PubChem CID14593194
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(OC)C(=O)C(C=C)=C1OC
InChIInChI=1S/C11H14O3/c1-5-7-11(14-4)9(12)8(6-2)10(11)13-3/h5-6H,1-2,7H2,3-4H3
InChIKeyWHFCRPCFIZIVON-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593192
2-Butyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593193
2,3,4-Trimethoxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 15701473
2-Hex-1-ynyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593196
4-But-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one
CID 15701467
2-Ethenyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 10607455
3,4-Diethoxy-2,4-bis(prop-2-enyl)cyclobut-2-en-1-one
CID 10911551
(E)-5-methoxy-5-(methoxymethyl)-6-methylideneoct-2-en-4-one
CID 141103502
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
3,4-Dimethoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10560390
2-Ethenyl-4-hydroxy-3-methoxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10607845
4-methoxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10613614

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one?
The IUPAC name of 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one (CID 14593194) is 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one?
The canonical SMILES for 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one is C=CCC1(OC)C(=O)C(C=C)=C1OC.
What is the InChIKey of 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one?
The InChIKey is WHFCRPCFIZIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-7-11(14-4)9(12)8(6-2)10(11)13-3/h5-6H,1-2,7H2,3-4H3.
What are the key properties of 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one?
2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one is sourced from PubChem (CID 14593194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).