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

C14H24O4 — CID 10355059

IUPAC4-hydroxy-4-(2-methylpropyl)-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/C14H24O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h8-10,16H,7H2,1-6H3
InChIKeyTVQYJERKXTUZEX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.41
Rot. Bonds6

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

4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 10355059) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID10355059
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-hydroxy-4-(2-methylpropyl)-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/C14H24O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h8-10,16H,7H2,1-6H3
InChIKeyTVQYJERKXTUZEX-UHFFFAOYSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one
CID 394535
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-Hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one
CID 103579
4-Butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 14112420
4-Tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140279
4-Butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 15686146
4-Tert-butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 134898043
4-Butyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155931920
4-Ethyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155932016
Lopouzanone A
CID 170989846
Lopouzanone B
CID 170989847
Talaketides A
CID 170990400

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 10355059) is 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-(2-methylpropyl)-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-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is TVQYJERKXTUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-8(2)7-14(16)12(15)11(17-9(3)4)13(14)18-10(5)6/h8-10,16H,7H2,1-6H3.
What are the key properties of 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 256.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 10355059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).