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

C7H12O4 — CID 11816007

IUPACmethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCOC(=O)CC1(C)OCCO1
InChIInChI=1S/C7H12O4/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3
InChIKeyXQWIKJOOYPQOKU-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.31
Rot. Bonds2

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

methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate (PubChem CID 11816007) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
PubChem CID11816007
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCOC(=O)CC1(C)OCCO1
InChIInChI=1S/C7H12O4/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3
InChIKeyXQWIKJOOYPQOKU-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.31
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)acetate?
The IUPAC name of methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate (CID 11816007) is methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate is COC(=O)CC1(C)OCCO1.
What is the InChIKey of methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is XQWIKJOOYPQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 160.17 g/mol, XLogP of 0.31, 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)acetate is sourced from PubChem (CID 11816007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).