4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one

C12H18O3 — CID 10774808

IUPAC4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCOC1C(=O)C(C=C(C)C)=C1OC(C)C
InChIInChI=1S/C12H18O3/c1-7(2)6-9-10(13)12(14-5)11(9)15-8(3)4/h6,8,12H,1-5H3
InChIKeyXIRWKEYKPUQDCL-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one

4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one (PubChem CID 10774808) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
PubChem CID10774808
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCOC1C(=O)C(C=C(C)C)=C1OC(C)C
InChIInChI=1S/C12H18O3/c1-7(2)6-9-10(13)12(14-5)11(9)15-8(3)4/h6,8,12H,1-5H3
InChIKeyXIRWKEYKPUQDCL-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one (CID 10774808) is 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one is COC1C(=O)C(C=C(C)C)=C1OC(C)C.
What is the InChIKey of 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
The InChIKey is XIRWKEYKPUQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-7(2)6-9-10(13)12(14-5)11(9)15-8(3)4/h6,8,12H,1-5H3.
What are the key properties of 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one?
4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one is sourced from PubChem (CID 10774808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).