EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AGI3541J26
EPA CompTox	DTXSID90863969

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AGI3541J26

EPA CompTox

DTXSID90863969


InChI Key	YEKSEJHZJGHKBN-UHFFFAOYSA-N
Smiles	O(CC)C(OCC(C)C)C
InChI	InChI=1/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3

InChI Key

YEKSEJHZJGHKBN-UHFFFAOYSA-N

Smiles

O(CC)C(OCC(C)C)C

InChI

InChI=1/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C8H18O2
Molecular Weight	146.13
AlogP	2.04
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	18.46
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H18O2

Molecular Weight

146.13

AlogP

2.04

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

18.46

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	6986-51-2
NORMAN SUSDAT
FDA SRS	AGI3541J26
PubChem	110941

Resources

Reference

CAS NUMBER

6986-51-2

NORMAN SUSDAT

FDA SRS

AGI3541J26

PubChem

110941

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-(1-ETHOXYETHOXY)-2-METHYLPROPANE

Structure

Physicochemical Descriptors

Cross References