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

C16H28O3 — CID 134857980

IUPAC3-methoxy-2-undecyl-2H-furan-5-one
SMILESCCCCCCCCCCCC1OC(=O)C=C1OC
InChIInChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(17)19-14/h13-14H,3-12H2,1-2H3
InChIKeyYRMRDZZNRRCCBH-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.36
Rot. Bonds11

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

3-methoxy-2-undecyl-2H-furan-5-one (PubChem CID 134857980) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methoxy-2-undecyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2-undecyl-2H-furan-5-one
PubChem CID134857980
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name3-methoxy-2-undecyl-2H-furan-5-one
SMILESCCCCCCCCCCCC1OC(=O)C=C1OC
InChIInChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(17)19-14/h13-14H,3-12H2,1-2H3
InChIKeyYRMRDZZNRRCCBH-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.36
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-hexylfuran-2(5H)-one
CID 102833
5-Octyl-2(5H)-furanone
CID 86623
4-Methoxy-6-nonylpyran-2-one
CID 44264720
(+)-sarcophytoxin B
CID 14705435
4-methyl-2-tridecyl-2H-furan-5-one
CID 118708713
6-Heptyl-4-methoxypyran-2-one
CID 44264738
2(5H)-Furanone, 5-heptyl-
CID 11041360
5,6-Dihydro-6-undecyl-2H-pyran-2-one
CID 10923030
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
[(4S,10E,12aR)-3-acetyloxy-6,10-dimethyl-2-oxo-5,9,12,12a-tetrahydro-4H-cycloundeca[b]furan-4-yl] acetate
CID 163050267

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-undecyl-2H-furan-5-one?
The IUPAC name of 3-methoxy-2-undecyl-2H-furan-5-one (CID 134857980) is 3-methoxy-2-undecyl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2-undecyl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2-undecyl-2H-furan-5-one is CCCCCCCCCCCC1OC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-2-undecyl-2H-furan-5-one?
The InChIKey is YRMRDZZNRRCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(17)19-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-2-undecyl-2H-furan-5-one?
3-methoxy-2-undecyl-2H-furan-5-one has a molecular weight of 268.40 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-undecyl-2H-furan-5-one is sourced from PubChem (CID 134857980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).