ethyl 2-(3-hexylfuran-2-yl)acetate

C14H22O3 — CID 11149114

IUPACethyl 2-(3-hexylfuran-2-yl)acetate
SMILESCCCCCCc1ccoc1CC(=O)OCC
InChIInChI=1S/C14H22O3/c1-3-5-6-7-8-12-9-10-17-13(12)11-14(15)16-4-2/h9-10H,3-8,11H2,1-2H3
InChIKeyJSBUWUOCZOGUOR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.51
Rot. Bonds8

About ethyl 2-(3-hexylfuran-2-yl)acetate

ethyl 2-(3-hexylfuran-2-yl)acetate (PubChem CID 11149114) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 2-(3-hexylfuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hexylfuran-2-yl)acetate
PubChem CID11149114
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl 2-(3-hexylfuran-2-yl)acetate
SMILESCCCCCCc1ccoc1CC(=O)OCC
InChIInChI=1S/C14H22O3/c1-3-5-6-7-8-12-9-10-17-13(12)11-14(15)16-4-2/h9-10H,3-8,11H2,1-2H3
InChIKeyJSBUWUOCZOGUOR-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.51
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

ethyl 2-(3-nonylfuran-2-yl)acetate
CID 11482904
(3-heptylfuran-2-yl)methanol
CID 14791772
3-heptylfuran-2-amine
CID 90951825
2-methyl-3-pentylfuran
CID 12555082
3-dodecylfuran-2-carbaldehyde
CID 54442257
(3-heptylfuran-2-yl)phosphane
CID 21095511
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
(3-pentylfuran-2-yl)phosphane
CID 21095698
nonadecyl 8-[4-hexyl-2-(8-nonadecoxy-8-oxooctyl)-3-octylphenyl]octanoate
CID 71368657
ethyl (2-heptylphenyl) carbonate
CID 67181360
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
ethanol;ethyl acetate;2-nonylphenol
CID 174437442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hexylfuran-2-yl)acetate?
The IUPAC name of ethyl 2-(3-hexylfuran-2-yl)acetate (CID 11149114) is ethyl 2-(3-hexylfuran-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-hexylfuran-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-hexylfuran-2-yl)acetate is CCCCCCc1ccoc1CC(=O)OCC.
What is the InChIKey of ethyl 2-(3-hexylfuran-2-yl)acetate?
The InChIKey is JSBUWUOCZOGUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-5-6-7-8-12-9-10-17-13(12)11-14(15)16-4-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of ethyl 2-(3-hexylfuran-2-yl)acetate?
ethyl 2-(3-hexylfuran-2-yl)acetate has a molecular weight of 238.33 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hexylfuran-2-yl)acetate is sourced from PubChem (CID 11149114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).