2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one

C15H22O3 — CID 69099244

IUPAC2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCC1OC(=O)C(C)=C1O
InChIInChI=1S/C15H22O3/c1-10(2)6-5-7-11(3)8-9-13-14(16)12(4)15(17)18-13/h6,8,13,16H,5,7,9H2,1-4H3
InChIKeyHICIJIYYOFGAKS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.83
Rot. Bonds5

About 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one

2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one (PubChem CID 69099244) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
PubChem CID69099244
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCC1OC(=O)C(C)=C1O
InChIInChI=1S/C15H22O3/c1-10(2)6-5-7-11(3)8-9-13-14(16)12(4)15(17)18-13/h6,8,13,16H,5,7,9H2,1-4H3
InChIKeyHICIJIYYOFGAKS-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)-2H-furan-5-one
CID 69285943
4-methyl-5-propoxy-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)furan-3-one
CID 69099050
5-butan-2-yloxy-4-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)furan-3-one
CID 69098967
2-(3,7-dimethylocta-2,6-dienyl)cyclohexane-1,3-dione
CID 70579950
(2R)-2-(2,2-dihydroxyethyl)-3-hydroxy-4-[(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoxy]-2H-furan-5-one
CID 137357945
(2R)-2-[(2R,5E,9E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-5,9-dienyl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 163190362
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
CID 12619393
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2-[(2E,6E)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-methyl-2H-furan-5-one
CID 143713877
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one (CID 69099244) is 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one is CC(C)=CCCC(C)=CCC1OC(=O)C(C)=C1O.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one?
The InChIKey is HICIJIYYOFGAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)6-5-7-11(3)8-9-13-14(16)12(4)15(17)18-13/h6,8,13,16H,5,7,9H2,1-4H3.
What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one?
2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one has a molecular weight of 250.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one is sourced from PubChem (CID 69099244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).