EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TTE06DHT5Y
EPA CompTox	DTXSID30863529

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TTE06DHT5Y

EPA CompTox

DTXSID30863529


InChI Key	IAZAUEBWBHMDGV-UHFFFAOYSA-N
Smiles	CCOC(=O)CCC1(C)OCC(C)O1
InChI	InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3

InChI Key

IAZAUEBWBHMDGV-UHFFFAOYSA-N

Smiles

CCOC(=O)CCC1(C)OCC(C)O1

InChI

InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3

Property Name	Value
Molecular Formula	C10H18O4
Molecular Weight	202.12
AlogP	1.48
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	44.76
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H18O4

Molecular Weight

202.12

AlogP

1.48

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

44.76

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	5413-49-0
NORMAN SUSDAT
FDA SRS	TTE06DHT5Y

Resources

Reference

CAS NUMBER

5413-49-0

NORMAN SUSDAT

FDA SRS

TTE06DHT5Y

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ETHYL LEVULINATE PROPYLENEGLYCOL KETAL

Structure

Physicochemical Descriptors

Cross References