EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7B5EDJ9UTT
EPA CompTox	DTXSID80215317

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7B5EDJ9UTT

EPA CompTox

DTXSID80215317


InChI Key	BMFLFTKDKRUVMF-UHFFFAOYSA-N
Smiles	C1COC2(CCCCCCCCCCC2)O1
InChI	InChI=1S/C14H26O2/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h1-13H2

InChI Key

BMFLFTKDKRUVMF-UHFFFAOYSA-N

Smiles

C1COC2(CCCCCCCCCCC2)O1

InChI

InChI=1S/C14H26O2/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h1-13H2

Property Name	Value
Molecular Formula	C14H26O2
Molecular Weight	226.19
AlogP	4.03
Hydrogen Bond Acceptor	2.0
Polar Surface Area	18.46
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H26O2

Molecular Weight

226.19

AlogP

4.03

Hydrogen Bond Acceptor

2.0

Polar Surface Area

18.46

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	650-06-6
NORMAN SUSDAT
FDA SRS	7B5EDJ9UTT
PubChem	69541
ChemSpider	62745.0

Resources

Reference

CAS NUMBER

650-06-6

NORMAN SUSDAT

FDA SRS

7B5EDJ9UTT

PubChem

69541

ChemSpider

62745.0

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

1,4-DIOXASPIRO(4.11)HEXADECANE

Structure

Physicochemical Descriptors

Cross References