EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T6DSN3PQV4
EPA CompTox	DTXSID90225624

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T6DSN3PQV4

EPA CompTox

DTXSID90225624


InChI Key	QKGREUBKUYOBTR-UHFFFAOYSA-N
Smiles	CC1(C)COCCOCCOCCO1
InChI	InChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3

InChI Key

QKGREUBKUYOBTR-UHFFFAOYSA-N

Smiles

CC1(C)COCCOCCOCCO1

InChI

InChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3

Property Name	Value
Molecular Formula	C10H20O4
Molecular Weight	204.14
AlogP	0.85
Hydrogen Bond Acceptor	4.0
Polar Surface Area	36.92
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H20O4

Molecular Weight

204.14

AlogP

0.85

Hydrogen Bond Acceptor

4.0

Polar Surface Area

36.92

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	74649-96-0
NORMAN SUSDAT
FDA SRS	T6DSN3PQV4
PubChem	12597933
ChemSpider	21163036.0

Resources

Reference

CAS NUMBER

74649-96-0

NORMAN SUSDAT

FDA SRS

T6DSN3PQV4

PubChem

12597933

ChemSpider

21163036.0

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...

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Last update: Monday, 3 November 2025

2,2-DIMETHYL-1,4,7,10-TETRAOXACYCLODODECANE

Structure

Physicochemical Descriptors

Cross References