4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one

C15H20O3 — CID 73154518

IUPAC4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OCC1CC=C(C)CC(=O)C=C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3
InChIKeyWSKLYRKBPFVGEJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.98
Rot. Bonds5

About 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one

4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one (PubChem CID 73154518) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
PubChem CID73154518
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OCC1CC=C(C)CC(=O)C=C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3
InChIKeyWSKLYRKBPFVGEJ-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-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

Tuberatolide A
CID 50993673
Anthecotulide
CID 11962174
Hydroxyanthecotulide
CID 11708731
(3E,5S)-3-[(E)-4-methyl-7-(5-oxo-2H-furan-3-yl)hept-4-enylidene]-5-(2-methylprop-1-enyl)tetrahydrofuran-2-one
CID 44179724
[(Z,1S)-3-methyl-1-[(2S,3R)-4-methylidene-2-[(E)-2-methyl-3-oxoprop-1-enyl]-5-oxooxolan-3-yl]-4-oxopent-2-enyl] (Z)-2-methylbut-2-enoate
CID 137661512
Asteriscunolide A
CID 13919624
(4Z,7E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919626
(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919627
Acetoxyanthecotulide
CID 11522381
Manshurolide
CID 14527198
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
Crassocolide P
CID 46930683

Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one?
The IUPAC name of 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one (CID 73154518) is 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one.
What is the SMILES notation for 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one?
The canonical SMILES for 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one is C=C1C(=O)OCC1CC=C(C)CC(=O)C=C(C)C.
What is the InChIKey of 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one?
The InChIKey is WSKLYRKBPFVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3.
What are the key properties of 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one?
4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one is sourced from PubChem (CID 73154518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).