2,3-dibutyl-4-hydroxycyclobut-2-en-1-one

C12H20O2 — CID 15723252

IUPAC2,3-dibutyl-4-hydroxycyclobut-2-en-1-one
SMILESCCCCC1=C(CCCC)C(O)C1=O
InChIInChI=1S/C12H20O2/c1-3-5-7-9-10(8-6-4-2)12(14)11(9)13/h11,13H,3-8H2,1-2H3
InChIKeyZJAPGBPOGYFLHL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.61
Rot. Bonds6

About 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one

2,3-dibutyl-4-hydroxycyclobut-2-en-1-one (PubChem CID 15723252) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-dibutyl-4-hydroxycyclobut-2-en-1-one
PubChem CID15723252
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,3-dibutyl-4-hydroxycyclobut-2-en-1-one
SMILESCCCCC1=C(CCCC)C(O)C1=O
InChIInChI=1S/C12H20O2/c1-3-5-7-9-10(8-6-4-2)12(14)11(9)13/h11,13H,3-8H2,1-2H3
InChIKeyZJAPGBPOGYFLHL-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one?
The IUPAC name of 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one (CID 15723252) is 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one is CCCCC1=C(CCCC)C(O)C1=O.
What is the InChIKey of 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one?
The InChIKey is ZJAPGBPOGYFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-7-9-10(8-6-4-2)12(14)11(9)13/h11,13H,3-8H2,1-2H3.
What are the key properties of 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one?
2,3-dibutyl-4-hydroxycyclobut-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 15723252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).