methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane

C11H16O5 — CID 143076572

IUPACmethyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane
SMILESCOC(C)=O.Cc1ccc(C2OCCO2)o1
InChIInChI=1S/C8H10O3.C3H6O2/c1-6-2-3-7(11-6)8-9-4-5-10-8;1-3(4)5-2/h2-3,8H,4-5H2,1H3;1-2H3
InChIKeyMXHBAISVKFRENI-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.81
Rot. Bonds1

About methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane

methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane (PubChem CID 143076572) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Namemethyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane
PubChem CID143076572
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane
SMILESCOC(C)=O.Cc1ccc(C2OCCO2)o1
InChIInChI=1S/C8H10O3.C3H6O2/c1-6-2-3-7(11-6)8-9-4-5-10-8;1-3(4)5-2/h2-3,8H,4-5H2,1H3;1-2H3
InChIKeyMXHBAISVKFRENI-UHFFFAOYSA-N
XLogP1.81
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,3-dioxolan-2-yl)furan-2-yl]-2,2-dimethylpropan-1-one
CID 102517992
2-(5-methylfuran-2-yl)-1,3-dioxolane-4-carboxylic acid
CID 115094622
methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
CID 129413869
(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
CID 117270124
(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346
5-O-ethyl 3-O-methyl (4R)-2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 679656
bis[2-(5-methylfuran-2-yl)pyrrolidin-1-yl] oxalate
CID 66856340
(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid
CID 97034978
2,5-dimethylfuran;ethyl acetate
CID 174830713
(2R)-N-(2-methoxy-3-pyridinyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 124603422
(3R)-N-[(2S)-2-methoxy-2-phenylethyl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97071356

Frequently Asked Questions

What is the IUPAC name of methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane?
The IUPAC name of methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane (CID 143076572) is methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane.
What is the SMILES notation for methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane?
The canonical SMILES for methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane is COC(C)=O.Cc1ccc(C2OCCO2)o1.
What is the InChIKey of methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane?
The InChIKey is MXHBAISVKFRENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C3H6O2/c1-6-2-3-7(11-6)8-9-4-5-10-8;1-3(4)5-2/h2-3,8H,4-5H2,1H3;1-2H3.
What are the key properties of methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane?
methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane has a molecular weight of 228.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;2-(5-methylfuran-2-yl)-1,3-dioxolane is sourced from PubChem (CID 143076572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).