ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate

C12H23NO3 — CID 64539900

IUPACethyl 2-[3-(diethylamino)oxolan-3-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCOC1
InChIInChI=1S/C12H23NO3/c1-4-13(5-2)12(7-8-15-10-12)9-11(14)16-6-3/h4-10H2,1-3H3
InChIKeyQABGJYPVVMFMNV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate

ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate (PubChem CID 64539900) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(diethylamino)oxolan-3-yl]acetate
PubChem CID64539900
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[3-(diethylamino)oxolan-3-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCOC1
InChIInChI=1S/C12H23NO3/c1-4-13(5-2)12(7-8-15-10-12)9-11(14)16-6-3/h4-10H2,1-3H3
InChIKeyQABGJYPVVMFMNV-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate?
The IUPAC name of ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate (CID 64539900) is ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate?
The canonical SMILES for ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate is CCOC(=O)CC1(N(CC)CC)CCOC1.
What is the InChIKey of ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate?
The InChIKey is QABGJYPVVMFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-13(5-2)12(7-8-15-10-12)9-11(14)16-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate?
ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(diethylamino)oxolan-3-yl]acetate is sourced from PubChem (CID 64539900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).