EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CH43QW6664
EPA CompTox	DTXSID10171316

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CH43QW6664

EPA CompTox

DTXSID10171316


InChI Key	JZUZJJCWIKMTAO-UHFFFAOYSA-N
Smiles	CCCCCCOCC(OCC)OCC
InChI	InChI=1S/C12H26O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h12H,4-11H2,1-3H3

InChI Key

JZUZJJCWIKMTAO-UHFFFAOYSA-N

Smiles

CCCCCCOCC(OCC)OCC

InChI

InChI=1S/C12H26O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h12H,4-11H2,1-3H3

Property Name	Value
Molecular Formula	C12H26O3
Molecular Weight	218.19
AlogP	2.98
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	27.69
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H26O3

Molecular Weight

218.19

AlogP

2.98

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

27.69

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	18266-50-7
NORMAN SUSDAT
FDA SRS	CH43QW6664
PubChem	87535
ChemSpider	78966.0

Resources

Reference

CAS NUMBER

18266-50-7

NORMAN SUSDAT

FDA SRS

CH43QW6664

PubChem

87535

ChemSpider

78966.0

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

1-(2,2-DIETHOXYETHOXY)HEXANE

Structure

Physicochemical Descriptors

Cross References