methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

C8H14O4 — CID 560031

IUPACmethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3
InChIKeyXUKFOSIFGGLZJW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds3

About methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 560031) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID560031
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3
InChIKeyXUKFOSIFGGLZJW-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 levulinate propyleneglycol ketal
CID 221634
1,3-Dioxolane-2-propanoic acid, 2,4-dimethyl-, 2,2'-(1,4-butanediyl) ester
CID 69096630
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 243715
5-Methoxy-5-methyloxolan-2-one
CID 317044
4-(2-Methyl-1,3-dioxolan-2-yl)-2-butanone
CID 538377
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid
CID 10931724
1,3-Dioxolane-2-propanoic acid, 2-methyl-, 2-hydroxyethyl ester
CID 11106457
Ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11788909

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 560031) is methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is COC(=O)CCC1(C)OCCO1.
What is the InChIKey of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is XUKFOSIFGGLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(11-5-6-12-8)4-3-7(9)10-2/h3-6H2,1-2H3.
What are the key properties of methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
methyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate 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 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).