methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate

C8H14O4 — CID 13085711

IUPACmethyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate
SMILESCCC1(CC(=O)OC)OCCO1
InChIInChI=1S/C8H14O4/c1-3-8(6-7(9)10-2)11-4-5-12-8/h3-6H2,1-2H3
InChIKeyVDRQCADWGSAXPV-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate

methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate (PubChem CID 13085711) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate
PubChem CID13085711
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate
SMILESCCC1(CC(=O)OC)OCCO1
InChIInChI=1S/C8H14O4/c1-3-8(6-7(9)10-2)11-4-5-12-8/h3-6H2,1-2H3
InChIKeyVDRQCADWGSAXPV-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
Ethyl acetoacetate ethyleneglycol ketal
CID 80865
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
Methyl (2-methyl-1,3-dioxolan-2-yl)acetate
CID 11816007
Dimethyl 2,2'-(1,3-dioxolane-2,2-diyl)diacetate
CID 228900
1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
Ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 14732462
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
Methyl (4S)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
CID 2733885
(R)-Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 11073901
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate (CID 13085711) is methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate is CCC1(CC(=O)OC)OCCO1.
What is the InChIKey of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is VDRQCADWGSAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-8(6-7(9)10-2)11-4-5-12-8/h3-6H2,1-2H3.
What are the key properties of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate?
methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 174.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 13085711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).