2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one

C15H24O3 — CID 155518477

IUPAC2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one
SMILESCC(C)=CCCC(C)CCOC1C=C(C)C(=O)O1
InChIInChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-13(4)15(16)18-14/h6,10,12,14H,5,7-9H2,1-4H3
InChIKeyRPIYVGXHNAPROE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.60
Rot. Bonds7

About 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one

2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one (PubChem CID 155518477) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one
PubChem CID155518477
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one
SMILESCC(C)=CCCC(C)CCOC1C=C(C)C(=O)O1
InChIInChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-13(4)15(16)18-14/h6,10,12,14H,5,7-9H2,1-4H3
InChIKeyRPIYVGXHNAPROE-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one?
The IUPAC name of 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one (CID 155518477) is 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one is CC(C)=CCCC(C)CCOC1C=C(C)C(=O)O1.
What is the InChIKey of 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one?
The InChIKey is RPIYVGXHNAPROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-13(4)15(16)18-14/h6,10,12,14H,5,7-9H2,1-4H3.
What are the key properties of 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one?
2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one has a molecular weight of 252.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enoxy)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 155518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).