EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	86UW2Y5S67
EPA CompTox	DTXSID50198704

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

86UW2Y5S67

EPA CompTox

DTXSID50198704


InChI Key	JECPJHZWLKEQFB-UHFFFAOYSA-N
Smiles	CC(C)OCCOCCOCCOCCO
InChI	InChI=1S/C11H24O5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11-12H,3-10H2,1-2H3

InChI Key

JECPJHZWLKEQFB-UHFFFAOYSA-N

Smiles

CC(C)OCCOCCOCCOCCO

InChI

InChI=1S/C11H24O5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11-12H,3-10H2,1-2H3

Property Name	Value
Molecular Formula	C11H24O5
Molecular Weight	236.16
AlogP	0.45
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	57.15
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H24O5

Molecular Weight

236.16

AlogP

0.45

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

57.15

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	50668-49-0
NORMAN SUSDAT
FDA SRS	86UW2Y5S67
PubChem	6452237
ChemSpider	4954676.0

Resources

Reference

CAS NUMBER

50668-49-0

NORMAN SUSDAT

FDA SRS

86UW2Y5S67

PubChem

6452237

ChemSpider

4954676.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

13-METHYL-3,6,9,12-TETRAOXATETRADECAN-1-OL

Structure

Physicochemical Descriptors

Cross References