3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate

C11H18O5 — CID 44719214

IUPAC3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate
SMILESCOC1C=CC(CCCOC(C)=O)(OC)O1
InChIInChI=1S/C11H18O5/c1-9(12)15-8-4-6-11(14-3)7-5-10(13-2)16-11/h5,7,10H,4,6,8H2,1-3H3
InChIKeyUSOUEUFUGPMUSU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds6

About 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate

3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate (PubChem CID 44719214) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate.

Molecular Properties

Compound Name3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate
PubChem CID44719214
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate
SMILESCOC1C=CC(CCCOC(C)=O)(OC)O1
InChIInChI=1S/C11H18O5/c1-9(12)15-8-4-6-11(14-3)7-5-10(13-2)16-11/h5,7,10H,4,6,8H2,1-3H3
InChIKeyUSOUEUFUGPMUSU-UHFFFAOYSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
CID 24848729
Methyl 3-(2,5-dimethoxy-2,5-dihydro-2-furyl)propionate
CID 13149550
[(E)-1-acetyloxyhex-2-enyl] acetate
CID 15534444
2,5-dimethoxy-5-propyl-2H-furan
CID 21493212
[(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 58918258
[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl] acetate
CID 394633
(2E)-5-(1,3-Dioxolan-2-YL)-3-methyl-2-pentenyl acetate
CID 10262675
5-butyl-2,5-dimethoxy-2H-furan
CID 12216653
Bis(2,5-dimethoxy-2,5-dihydrofur-2-yl)methane
CID 12382033
2-Methoxy-1,6-dioxaspiro[4,4]non-3-ene
CID 13031345
2,7-Dimethoxy-1,6-dioxaspiro[4.4]-3-nonene
CID 44720274
1,1-Diacetyloxynon-2-en-4-yl acetate
CID 74332127

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate?
The IUPAC name of 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate (CID 44719214) is 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate.
What is the SMILES notation for 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate?
The canonical SMILES for 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate is COC1C=CC(CCCOC(C)=O)(OC)O1.
What is the InChIKey of 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate?
The InChIKey is USOUEUFUGPMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(12)15-8-4-6-11(14-3)7-5-10(13-2)16-11/h5,7,10H,4,6,8H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate?
3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate is sourced from PubChem (CID 44719214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).