EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	688G9DAG4I
EPA CompTox	DTXSID40212423

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

688G9DAG4I

EPA CompTox

DTXSID40212423


InChI Key	VIQKXLIYROUVRO-UHFFFAOYSA-N
Smiles	COCCOCCOCCOC(C)C
InChI	InChI=1S/C10H22O4/c1-10(2)14-9-8-13-7-6-12-5-4-11-3/h10H,4-9H2,1-3H3

InChI Key

VIQKXLIYROUVRO-UHFFFAOYSA-N

Smiles

COCCOCCOCCOC(C)C

InChI

InChI=1S/C10H22O4/c1-10(2)14-9-8-13-7-6-12-5-4-11-3/h10H,4-9H2,1-3H3

Property Name	Value
Molecular Formula	C10H22O4
Molecular Weight	206.15
AlogP	1.09
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	36.92
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H22O4

Molecular Weight

206.15

AlogP

1.09

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

36.92

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	63095-27-2
NORMAN SUSDAT
FDA SRS	688G9DAG4I
PubChem	6454509
ChemSpider	4956823.0

Resources

Reference

CAS NUMBER

63095-27-2

NORMAN SUSDAT

FDA SRS

688G9DAG4I

PubChem

6454509

ChemSpider

4956823.0

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

12-METHYL-2,5,8,11-TETRAOXATRIDECANE

Structure

Physicochemical Descriptors

Cross References