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

C10H18O4 — CID 14334689

IUPACethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)CCC1(CC)OCCO1
InChIInChI=1S/C10H18O4/c1-3-10(13-7-8-14-10)6-5-9(11)12-4-2/h3-8H2,1-2H3
InChIKeyAUZMPXBGQDJHQG-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

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

ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 14334689) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate
PubChem CID14334689
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)CCC1(CC)OCCO1
InChIInChI=1S/C10H18O4/c1-3-10(13-7-8-14-10)6-5-9(11)12-4-2/h3-8H2,1-2H3
InChIKeyAUZMPXBGQDJHQG-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate (CID 14334689) is ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate is CCOC(=O)CCC1(CC)OCCO1.
What is the InChIKey of ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is AUZMPXBGQDJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(13-7-8-14-10)6-5-9(11)12-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 14334689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).