2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one

C14H24O4 — CID 19751793

IUPAC2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
SMILESCCCCOC1=C(OCCCC)C(O)(CC)C1=O
InChIInChI=1S/C14H24O4/c1-4-7-9-17-11-12(15)14(16,6-3)13(11)18-10-8-5-2/h16H,4-10H2,1-3H3
InChIKeyIPGBJFPDGWYKPU-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.56
Rot. Bonds9

About 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one

2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one (PubChem CID 19751793) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
PubChem CID19751793
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
SMILESCCCCOC1=C(OCCCC)C(O)(CC)C1=O
InChIInChI=1S/C14H24O4/c1-4-7-9-17-11-12(15)14(16,6-3)13(11)18-10-8-5-2/h16H,4-10H2,1-3H3
InChIKeyIPGBJFPDGWYKPU-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dibutoxy-4-ethyl-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

Related Compounds

4-Hydroxy-4-pent-1-ynyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10978398
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-(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
2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one
CID 394535
4-Hydroxy-2-(1-hydroxyethyl)-2,5-dimethylfuran-3(2H)-one
CID 103578
4-(3-Hept-2-ynoxyprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10447042
4-Ethenyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11229870
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-Hex-1-ynyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140283

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one?
The IUPAC name of 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one (CID 19751793) is 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one is CCCCOC1=C(OCCCC)C(O)(CC)C1=O.
What is the InChIKey of 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one?
The InChIKey is IPGBJFPDGWYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-7-9-17-11-12(15)14(16,6-3)13(11)18-10-8-5-2/h16H,4-10H2,1-3H3.
What are the key properties of 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one?
2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one has a molecular weight of 256.34 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 19751793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).