4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one

C11H16O3 — CID 10535878

IUPAC4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one
SMILESC/C=C\C1(O)C(=O)C(C(C)C)=C1OC
InChIInChI=1S/C11H16O3/c1-5-6-11(13)9(12)8(7(2)3)10(11)14-4/h5-7,13H,1-4H3/b6-5-
InChIKeyLXBAFSUNYASTMQ-WAYWQWQTSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds3

About 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one

4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one (PubChem CID 10535878) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one
PubChem CID10535878
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one
SMILESC/C=C\C1(O)C(=O)C(C(C)C)=C1OC
InChIInChI=1S/C11H16O3/c1-5-6-11(13)9(12)8(7(2)3)10(11)14-4/h5-7,13H,1-4H3/b6-5-
InChIKeyLXBAFSUNYASTMQ-WAYWQWQTSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-(6-methylhept-5-en-2-yl)-3-[(2-methylpropan-2-yl)oxy]-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 14563004
2-Ethenyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 10607455
2-Butyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593189
4-hydroxy-3-methoxy-2-propan-2-yl-4-[(E)-prop-1-enyl]cyclobut-2-en-1-one
CID 10488115
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
4-Hydroxy-3-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10512083
2-Ethenyl-4-hydroxy-3-methoxy-4-(2-methylprop-2-enyl)cyclobut-2-en-1-one
CID 10607845
3,4-dimethoxy-2-propan-2-yl-4-[(E)-prop-1-enyl]cyclobut-2-en-1-one
CID 10750941
4-Hydroxy-3-methoxy-2-propan-2-yl-4-prop-1-ynylcyclobut-2-en-1-one
CID 10821629
3,4-dimethoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one
CID 10822346
2-Tert-butyl-4-hydroxy-4-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 11806011
2-Hex-1-ynyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593191

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one (CID 10535878) is 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one is C/C=C\C1(O)C(=O)C(C(C)C)=C1OC.
What is the InChIKey of 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one?
The InChIKey is LXBAFSUNYASTMQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-6-11(13)9(12)8(7(2)3)10(11)14-4/h5-7,13H,1-4H3/b6-5-.
What are the key properties of 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one?
4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-2-propan-2-yl-4-[(Z)-prop-1-enyl]cyclobut-2-en-1-one is sourced from PubChem (CID 10535878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).