4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

C10H16O4 — CID 14112421

IUPAC4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(O)(C(C)(C)C)C1=O
InChIInChI=1S/C10H16O4/c1-9(2,3)10(12)7(11)6(13-4)8(10)14-5/h12H,1-5H3
InChIKeyYSVKRKCFTRWBSY-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.85
Rot. Bonds2

About 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (PubChem CID 14112421) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
PubChem CID14112421
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(O)(C(C)(C)C)C1=O
InChIInChI=1S/C10H16O4/c1-9(2,3)10(12)7(11)6(13-4)8(10)14-5/h12H,1-5H3
InChIKeyYSVKRKCFTRWBSY-UHFFFAOYSA-N
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-Trimethoxy-4-(2-methylbut-3-en-2-yl)cyclobut-2-en-1-one
CID 15701466
4-Tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140279
4-Hex-1-ynyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14169194
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-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
4-Hydroxy-2,3-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593188
2,3-Dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
CID 19751793
4-Hydroxy-2-(2-hydroxypropan-2-yl)-2,5-dimethylfuran-3-one
CID 20373307
2,3-Dibutoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 89960827
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-dimethoxycyclobut-2-en-1-one?
The IUPAC name of 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (CID 14112421) is 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.
What is the SMILES notation for 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The canonical SMILES for 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is COC1=C(OC)C(O)(C(C)(C)C)C1=O.
What is the InChIKey of 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The InChIKey is YSVKRKCFTRWBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2,3)10(12)7(11)6(13-4)8(10)14-5/h12H,1-5H3.
What are the key properties of 4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
4-tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one has a molecular weight of 200.23 g/mol, XLogP of 0.85, 2 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-dimethoxycyclobut-2-en-1-one is sourced from PubChem (CID 14112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).