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

C9H16O4 — CID 12688986

IUPACethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)C1(C)OCCO1
InChIInChI=1S/C9H16O4/c1-4-11-8(10)7(2)9(3)12-5-6-13-9/h7H,4-6H2,1-3H3
InChIKeyXUKLTBPUGQSRBR-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds3

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

ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 12688986) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID12688986
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)C1(C)OCCO1
InChIInChI=1S/C9H16O4/c1-4-11-8(10)7(2)9(3)12-5-6-13-9/h7H,4-6H2,1-3H3
InChIKeyXUKLTBPUGQSRBR-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
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-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 12688986) is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate is CCOC(=O)C(C)C1(C)OCCO1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is XUKLTBPUGQSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-11-8(10)7(2)9(3)12-5-6-13-9/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate?
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 188.22 g/mol, XLogP of 0.95, 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-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 12688986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).