4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one

C10H16O3 — CID 10330027

IUPAC4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
SMILESCOC1(C)C(=O)C=C1OC(C)(C)C
InChIInChI=1S/C10H16O3/c1-9(2,3)13-8-6-7(11)10(8,4)12-5/h6H,1-5H3
InChIKeyZYFISRMGNYCTIQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one

4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one (PubChem CID 10330027) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
PubChem CID10330027
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
SMILESCOC1(C)C(=O)C=C1OC(C)(C)C
InChIInChI=1S/C10H16O3/c1-9(2,3)13-8-6-7(11)10(8,4)12-5/h6H,1-5H3
InChIKeyZYFISRMGNYCTIQ-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hex-2-ynoxy-2,3-dimethoxy-4-prop-1-ynylcyclobut-2-en-1-one
CID 15074641
5-Hydroxy-2-(methoxymethyl)-2,6,6-trimethylpyran-3-one
CID 59445939
6-Ethenyl-5,6-dimethoxycyclohexa-2,4-dien-1-one
CID 11159658
5,6-Dimethoxy-6-methylcyclohexa-2,4-dien-1-one
CID 12264350
isopropyl 3-(acetyloxy)-3-methyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylate
CID 12353315
2,3,4-Triethoxy-4-methylcyclobut-2-en-1-one
CID 15272187
3-ethoxy-6,6-dimethyl-2H-pyran-5-one
CID 91623083
propan-2-yl (3S)-3-acetyloxy-3-methyl-4-oxo-2H-pyran-6-carboxylate
CID 92259774
propan-2-yl (3R)-3-acetyloxy-3-methyl-4-oxo-2H-pyran-6-carboxylate
CID 92259775
4-Ethenyl-2,3,4-triethoxycyclobut-2-en-1-one
CID 121011201
6-Acetyl-5-methoxy-7-oxabicyclo[4.1.0]hepta-1,4-dien-3-one
CID 177190756

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one (CID 10330027) is 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one is COC1(C)C(=O)C=C1OC(C)(C)C.
What is the InChIKey of 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The InChIKey is ZYFISRMGNYCTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2,3)13-8-6-7(11)10(8,4)12-5/h6H,1-5H3.
What are the key properties of 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one is sourced from PubChem (CID 10330027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).