4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one

C9H14O3 — CID 10725833

IUPAC4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCOC1C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C9H14O3/c1-5(2)12-8-6(3)7(10)9(8)11-4/h5,9H,1-4H3
InChIKeyGCRQVAZCURISON-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one

4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one (PubChem CID 10725833) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
PubChem CID10725833
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
SMILESCOC1C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C9H14O3/c1-5(2)12-8-6(3)7(10)9(8)11-4/h5,9H,1-4H3
InChIKeyGCRQVAZCURISON-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-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

Related Compounds

3-Isopropoxy-4-methyl-3-cyclobutene-1,2-dione
CID 10820771
3,4-Diethoxy-4-hex-1-ynyl-2-methylcyclobut-2-en-1-one
CID 10562640
3,4,4-Trimethoxy-2-methylcyclobut-2-en-1-one
CID 10397241
2-Methyl-3-[(propan-2-yl)oxy]-5,8-dioxaspiro[3.4]oct-2-en-1-one
CID 14715018
2,6-Dimethyl-5-propan-2-yloxy-1,3-dioxaspiro[3.3]hept-5-en-7-one
CID 53705207
4-Methoxy-2-(2-methylprop-1-enyl)-3-propan-2-yloxycyclobut-2-en-1-one
CID 10774808
3,4,4-Triethoxy-2-methylcyclobut-2-en-1-one
CID 10954901
3-Propan-2-yloxy-4-(trideuteriomethyl)cyclobut-3-ene-1,2-dione
CID 101196670
3-(Deuteriomethyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione
CID 101196672

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one (CID 10725833) is 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one is COC1C(=O)C(C)=C1OC(C)C.
What is the InChIKey of 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one?
The InChIKey is GCRQVAZCURISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5(2)12-8-6(3)7(10)9(8)11-4/h5,9H,1-4H3.
What are the key properties of 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one?
4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one is sourced from PubChem (CID 10725833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).