2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one

C16H28O4 — CID 13146970

IUPAC2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
SMILESCC(C)(C)OC1=C(OC(C)(C)C)C(OC(C)(C)C)C1=O
InChIInChI=1S/C16H28O4/c1-14(2,3)18-11-10(17)12(19-15(4,5)6)13(11)20-16(7,8)9/h11H,1-9H3
InChIKeyGUEDHHIMHIIKMN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.59
Rot. Bonds3

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

2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one (PubChem CID 13146970) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
PubChem CID13146970
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
SMILESCC(C)(C)OC1=C(OC(C)(C)C)C(OC(C)(C)C)C1=O
InChIInChI=1S/C16H28O4/c1-14(2,3)18-11-10(17)12(19-15(4,5)6)13(11)20-16(7,8)9/h11H,1-9H3
InChIKeyGUEDHHIMHIIKMN-UHFFFAOYSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The IUPAC name of 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one (CID 13146970) is 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one.
What is the SMILES notation for 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The canonical SMILES for 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one is CC(C)(C)OC1=C(OC(C)(C)C)C(OC(C)(C)C)C1=O.
What is the InChIKey of 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
The InChIKey is GUEDHHIMHIIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-14(2,3)18-11-10(17)12(19-15(4,5)6)13(11)20-16(7,8)9/h11H,1-9H3.
What are the key properties of 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one?
2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one is sourced from PubChem (CID 13146970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).