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

C8H14O4 — CID 10975980

IUPACmethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(C)C1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-6(7(9)10-3)8(2)11-4-5-12-8/h6H,4-5H2,1-3H3
InChIKeyIEUZOKNROAGWFW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds2

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

methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 10975980) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID10975980
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(C)C1(C)OCCO1
InChIInChI=1S/C8H14O4/c1-6(7(9)10-3)8(2)11-4-5-12-8/h6H,4-5H2,1-3H3
InChIKeyIEUZOKNROAGWFW-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 10975980) is methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate is COC(=O)C(C)C1(C)OCCO1.
What is the InChIKey of methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is IEUZOKNROAGWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(7(9)10-3)8(2)11-4-5-12-8/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 174.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 10975980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).