4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C22H36O4 — CID 10713836

IUPAC4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)=CCCC(C)CC/C=C/C1(O)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C22H36O4/c1-15(2)11-10-13-18(7)12-8-9-14-22(24)20(23)19(25-16(3)4)21(22)26-17(5)6/h9,11,14,16-18,24H,8,10,12-13H2,1-7H3/b14-9+
InChIKeyKDGDCOFYHHBXGJ-NTEUORMPSA-N
MW364.53 g/mol
LogP5.08
Rot. Bonds11

About 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 10713836) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID10713836
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)=CCCC(C)CC/C=C/C1(O)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C22H36O4/c1-15(2)11-10-13-18(7)12-8-9-14-22(24)20(23)19(25-16(3)4)21(22)26-17(5)6/h9,11,14,16-18,24H,8,10,12-13H2,1-7H3/b14-9+
InChIKeyKDGDCOFYHHBXGJ-NTEUORMPSA-N
XLogP5.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-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

2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one
CID 394535
4-Ethenyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11229870
4-[(5R)-5,9-dimethyldeca-1,2,8-trienyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10780988
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10636330
4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10643394
4-Hydroxy-4-(2-methylprop-1-enyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10682370
4-hydroxy-4-methyl-3-propan-2-yloxy-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10755079
4-Hydroxy-2,3-di(propan-2-yloxy)-4-prop-2-enylcyclobut-2-en-1-one
CID 101186047
4-Cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 101232686

Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 10713836) is 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)=CCCC(C)CC/C=C/C1(O)C(=O)C(OC(C)C)=C1OC(C)C.
What is the InChIKey of 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is KDGDCOFYHHBXGJ-NTEUORMPSA-N. The full InChI is InChI=1S/C22H36O4/c1-15(2)11-10-13-18(7)12-8-9-14-22(24)20(23)19(25-16(3)4)21(22)26-17(5)6/h9,11,14,16-18,24H,8,10,12-13H2,1-7H3/b14-9+.
What are the key properties of 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 364.53 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 10713836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).