1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate

C11H18O5 — CID 121223531

IUPAC1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate
SMILESCOC1C=CC(CC(C)OC(C)=O)(OC)O1
InChIInChI=1S/C11H18O5/c1-8(15-9(2)12)7-11(14-4)6-5-10(13-3)16-11/h5-6,8,10H,7H2,1-4H3
InChIKeyVNMFLCNXYACRTB-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds5

About 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate

1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate (PubChem CID 121223531) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate
PubChem CID121223531
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate
SMILESCOC1C=CC(CC(C)OC(C)=O)(OC)O1
InChIInChI=1S/C11H18O5/c1-8(15-9(2)12)7-11(14-4)6-5-10(13-3)16-11/h5-6,8,10H,7H2,1-4H3
InChIKeyVNMFLCNXYACRTB-UHFFFAOYSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-3,5-Diacetoxy-1-cyclopentene
CID 10192610
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
CID 24848729
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
cis-4-Cyclopentene-1,3-diol diacetate
CID 4432410
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
Methyl 3-(2,5-dimethoxy-2,5-dihydro-2-furyl)propionate
CID 13149550
(3-acetyloxy-6-propoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 135015555

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate?
The IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate (CID 121223531) is 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate?
The canonical SMILES for 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate is COC1C=CC(CC(C)OC(C)=O)(OC)O1.
What is the InChIKey of 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate?
The InChIKey is VNMFLCNXYACRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-8(15-9(2)12)7-11(14-4)6-5-10(13-3)16-11/h5-6,8,10H,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate?
1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-2H-furan-5-yl)propan-2-yl acetate is sourced from PubChem (CID 121223531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).