3-methoxy-2-nonyl-2H-furan-5-one

C14H24O3 — CID 101474324

IUPAC3-methoxy-2-nonyl-2H-furan-5-one
SMILESCCCCCCCCCC1OC(=O)C=C1OC
InChIInChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-10-12-13(16-2)11-14(15)17-12/h11-12H,3-10H2,1-2H3
InChIKeyYCZJHKGEEXJQPY-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.58
Rot. Bonds9

About 3-methoxy-2-nonyl-2H-furan-5-one

3-methoxy-2-nonyl-2H-furan-5-one (PubChem CID 101474324) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-methoxy-2-nonyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2-nonyl-2H-furan-5-one
PubChem CID101474324
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-methoxy-2-nonyl-2H-furan-5-one
SMILESCCCCCCCCCC1OC(=O)C=C1OC
InChIInChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-10-12-13(16-2)11-14(15)17-12/h11-12H,3-10H2,1-2H3
InChIKeyYCZJHKGEEXJQPY-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
5-hexylfuran-2(5H)-one
CID 102833
5-Octyl-2(5H)-furanone
CID 86623
(6R)-6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 11629959
4-Methoxy-6-nonylpyran-2-one
CID 44264720
6-Heptyl-4-methoxypyran-2-one
CID 44264738
(R)-Dodec-2-en-1,5-olide
CID 71351181
2(5H)-Furanone, 5-heptyl-
CID 11041360
6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 15825660
2(5H)Furanone, 4-hydroxy-5-octyl-
CID 54676474
(R)-5-Tridecylfuran-2(5H)-one
CID 10423057
(2R)-2-nonyl-2H-furan-5-one
CID 129383800

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nonyl-2H-furan-5-one?
The IUPAC name of 3-methoxy-2-nonyl-2H-furan-5-one (CID 101474324) is 3-methoxy-2-nonyl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2-nonyl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2-nonyl-2H-furan-5-one is CCCCCCCCCC1OC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-2-nonyl-2H-furan-5-one?
The InChIKey is YCZJHKGEEXJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-10-12-13(16-2)11-14(15)17-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methoxy-2-nonyl-2H-furan-5-one?
3-methoxy-2-nonyl-2H-furan-5-one has a molecular weight of 240.34 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nonyl-2H-furan-5-one is sourced from PubChem (CID 101474324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).