ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate

C9H14O4 — CID 22596479

IUPACethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate
SMILESC=C1COC(C)(CC(=O)OCC)O1
InChIInChI=1S/C9H14O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h2,4-6H2,1,3H3
InChIKeyGUINIVCLXZCBPS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.22
Rot. Bonds3

About ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate

ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate (PubChem CID 22596479) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate
PubChem CID22596479
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate
SMILESC=C1COC(C)(CC(=O)OCC)O1
InChIInChI=1S/C9H14O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h2,4-6H2,1,3H3
InChIKeyGUINIVCLXZCBPS-UHFFFAOYSA-N
XLogP1.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate (CID 22596479) is ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate is C=C1COC(C)(CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate?
The InChIKey is GUINIVCLXZCBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h2,4-6H2,1,3H3.
What are the key properties of ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate?
ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate has a molecular weight of 186.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4-methylidene-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 22596479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).