3-methoxy-2-undecyl-2,5-dihydrofuran

C16H30O2 — CID 102055856

IUPAC3-methoxy-2-undecyl-2,5-dihydrofuran
SMILESCCCCCCCCCCCC1OCC=C1OC
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-15(17-2)13-14-18-16/h13,16H,3-12,14H2,1-2H3
InChIKeyWHIRTOJKIDLYAB-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.84
Rot. Bonds11

About 3-methoxy-2-undecyl-2,5-dihydrofuran

3-methoxy-2-undecyl-2,5-dihydrofuran (PubChem CID 102055856) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-methoxy-2-undecyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-methoxy-2-undecyl-2,5-dihydrofuran
PubChem CID102055856
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-methoxy-2-undecyl-2,5-dihydrofuran
SMILESCCCCCCCCCCCC1OCC=C1OC
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-15(17-2)13-14-18-16/h13,16H,3-12,14H2,1-2H3
InChIKeyWHIRTOJKIDLYAB-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-2-tetradecyl-2,5-dihydrofuran
CID 101895600
2-Hexyl-2,5-dihydrofuran
CID 10855696
2-Heptyl-2,5-dihydrofuran
CID 57702310
(2-Methoxyethyl)cyclododecenyl ether
CID 70477690
2-Nonyl-2,5-dihydrofuran
CID 11217821
(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane
CID 73333010
3-methoxy-2-nonyl-2H-furan-5-one
CID 101474324
(2R)-2-heptyl-2,5-dihydrofuran
CID 101686000
3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
2-Cyclohexyl-3-methoxy-2,5-dihydrofuran
CID 102055860
2,7-Diethoxycycloheptene
CID 129682399
2,7-Dimethoxycycloheptene
CID 129682416

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-undecyl-2,5-dihydrofuran?
The IUPAC name of 3-methoxy-2-undecyl-2,5-dihydrofuran (CID 102055856) is 3-methoxy-2-undecyl-2,5-dihydrofuran.
What is the SMILES notation for 3-methoxy-2-undecyl-2,5-dihydrofuran?
The canonical SMILES for 3-methoxy-2-undecyl-2,5-dihydrofuran is CCCCCCCCCCCC1OCC=C1OC.
What is the InChIKey of 3-methoxy-2-undecyl-2,5-dihydrofuran?
The InChIKey is WHIRTOJKIDLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-16-15(17-2)13-14-18-16/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 3-methoxy-2-undecyl-2,5-dihydrofuran?
3-methoxy-2-undecyl-2,5-dihydrofuran has a molecular weight of 254.41 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-undecyl-2,5-dihydrofuran is sourced from PubChem (CID 102055856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).