4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

C11H16O3 — CID 101072503

IUPAC4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(O)C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C11H16O3/c1-6(2)11(13)9(12)8(5)10(11)14-7(3)4/h7,13H,1H2,2-5H3
InChIKeyJMGGQZHYZHZDQV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds3

About 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 101072503) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID101072503
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(O)C(=O)C(C)=C1OC(C)C
InChIInChI=1S/C11H16O3/c1-6(2)11(13)9(12)8(5)10(11)14-7(3)4/h7,13H,1H2,2-5H3
InChIKeyJMGGQZHYZHZDQV-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 101072503) is 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1(O)C(=O)C(C)=C1OC(C)C.
What is the InChIKey of 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is JMGGQZHYZHZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(2)11(13)9(12)8(5)10(11)14-7(3)4/h7,13H,1H2,2-5H3.
What are the key properties of 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 101072503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).