4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one

C11H16O4 — CID 15701467

IUPAC4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one
SMILESC=CC(C)C1(OC)C(=O)C(OC)=C1OC
InChIInChI=1S/C11H16O4/c1-6-7(2)11(15-5)9(12)8(13-3)10(11)14-4/h6-7H,1H2,2-5H3
InChIKeyNVZOFGWHYROPTI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.28
Rot. Bonds5

About 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one

4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one (PubChem CID 15701467) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one
PubChem CID15701467
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one
SMILESC=CC(C)C1(OC)C(=O)C(OC)=C1OC
InChIInChI=1S/C11H16O4/c1-6-7(2)11(15-5)9(12)8(13-3)10(11)14-4/h6-7H,1H2,2-5H3
InChIKeyNVZOFGWHYROPTI-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
2,3,4-Trimethoxy-4-(2-methylbut-3-en-2-yl)cyclobut-2-en-1-one
CID 15701466
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
2-Ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593194
3,4-dimethoxy-2-propan-2-yl-4-[(E)-prop-1-enyl]cyclobut-2-en-1-one
CID 10750941
3,4-dimethoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one
CID 10822346
2,3,4-Trimethoxy-4-undec-10-en-1,5-diynylcyclobut-2-en-1-one
CID 15004558
4-Allyl-3,4-diethoxy-2-methylcyclobut-2-enone
CID 15272188
4-Ethenyl-2,3,4-triethoxycyclobut-2-en-1-one
CID 121011201

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one?
The IUPAC name of 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one (CID 15701467) is 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one.
What is the SMILES notation for 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one?
The canonical SMILES for 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one is C=CC(C)C1(OC)C(=O)C(OC)=C1OC.
What is the InChIKey of 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one?
The InChIKey is NVZOFGWHYROPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-7(2)11(15-5)9(12)8(13-3)10(11)14-4/h6-7H,1H2,2-5H3.
What are the key properties of 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one?
4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one has a molecular weight of 212.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-2,3,4-trimethoxycyclobut-2-en-1-one is sourced from PubChem (CID 15701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).