(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate

C10H16O5 — CID 134854571

IUPAC(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate
SMILESCOC1(C)C=CC(COC(C)=O)(OC)O1
InChIInChI=1S/C10H16O5/c1-8(11)14-7-10(13-4)6-5-9(2,12-3)15-10/h5-6H,7H2,1-4H3
InChIKeyIHNKPOKMYLUKIU-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.84
Rot. Bonds4

About (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate

(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate (PubChem CID 134854571) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate.

Molecular Properties

Compound Name(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate
PubChem CID134854571
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate
SMILESCOC1(C)C=CC(COC(C)=O)(OC)O1
InChIInChI=1S/C10H16O5/c1-8(11)14-7-10(13-4)6-5-9(2,12-3)15-10/h5-6H,7H2,1-4H3
InChIKeyIHNKPOKMYLUKIU-UHFFFAOYSA-N
XLogP0.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.84
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

Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate
CID 2723832
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 10921229
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-cis-2-propenoate
CID 10012651
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
tert-butyl (E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11107107

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate?
The IUPAC name of (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate (CID 134854571) is (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate.
What is the SMILES notation for (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate?
The canonical SMILES for (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate is COC1(C)C=CC(COC(C)=O)(OC)O1.
What is the InChIKey of (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate?
The InChIKey is IHNKPOKMYLUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-8(11)14-7-10(13-4)6-5-9(2,12-3)15-10/h5-6H,7H2,1-4H3.
What are the key properties of (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate?
(2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate has a molecular weight of 216.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-5-methylfuran-2-yl)methyl acetate is sourced from PubChem (CID 134854571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).