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

C14H24O4 — CID 14140279

IUPAC4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C(C)(C)C)C1=O
InChIInChI=1S/C14H24O4/c1-8(2)17-10-11(15)14(16,13(5,6)7)12(10)18-9(3)4/h8-9,16H,1-7H3
InChIKeyTZECFRXTSHSUDG-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.41
Rot. Bonds4

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

4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 14140279) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID14140279
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C(C)(C)C)C1=O
InChIInChI=1S/C14H24O4/c1-8(2)17-10-11(15)14(16,13(5,6)7)12(10)18-9(3)4/h8-9,16H,1-7H3
InChIKeyTZECFRXTSHSUDG-UHFFFAOYSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-Butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 14112420
4-Tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14112421
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215
4-Tert-butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 134898043
4-Ethyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155932016
2-(2,3-Diethoxy-1-hydroxy-4-oxocyclobut-2-en-1-yl)-2-methylpropanoic acid
CID 10890568
2,3-Dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
CID 19751793
2,3-Dibutoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 89960827
4-Hydroxy-4-(2-methylpropyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10355059
4-Hydroxy-4-propan-2-yl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10421855

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 14140279) is 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(O)(C(C)(C)C)C1=O.
What is the InChIKey of 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is TZECFRXTSHSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-8(2)17-10-11(15)14(16,13(5,6)7)12(10)18-9(3)4/h8-9,16H,1-7H3.
What are the key properties of 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 256.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 14140279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).