4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C14H22O4 — CID 10682370

IUPAC4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)=CC1(O)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C14H22O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h7,9-10,16H,1-6H3
InChIKeyLTXMWSMZOHIBNU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.33
Rot. Bonds5

About 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 10682370) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID10682370
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)=CC1(O)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C14H22O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h7,9-10,16H,1-6H3
InChIKeyLTXMWSMZOHIBNU-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one
CID 394535
4-(2-Ethoxyethynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 85574270
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-(3-Hept-2-ynoxyprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10447042
4-Hydroxy-4-pent-1-ynyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10978398
4-Ethenyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11229870
4-Hex-1-ynyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140283
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215
4-Hydroxy-2,3-dimethoxy-4-[3-(3-methoxyprop-2-ynoxy)prop-1-ynyl]cyclobut-2-en-1-one
CID 134873578
4-Hydroxy-2,3-di(propan-2-yloxy)-4-(trifluoromethyl)cyclobut-2-en-1-one
CID 132515194
4-Hydroxy-4-isopropenyl-2,3-diisopropoxy-6-methoxy-5-methyl-2,5-cyclohexadien-1-one
CID 10495163
4-[(5R)-5,9-dimethyldeca-1,2,8-trienyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10780988

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 10682370) is 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)=CC1(O)C(=O)C(OC(C)C)=C1OC(C)C.
What is the InChIKey of 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is LTXMWSMZOHIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h7,9-10,16H,1-6H3.
What are the key properties of 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 254.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 10682370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).