EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9CB7SAZ6HR
EPA CompTox	DTXSID70181436

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9CB7SAZ6HR

EPA CompTox

DTXSID70181436


InChI Key	GGRDCTPZRBUOJU-UHFFFAOYSA-N
Smiles	COC(C)(C)C1CCC(C)(CC1)OC
InChI	InChI=1S/C12H24O2/c1-11(2,13-4)10-6-8-12(3,14-5)9-7-10/h10H,6-9H2,1-5H3/t10-,12-

InChI Key

GGRDCTPZRBUOJU-UHFFFAOYSA-N

Smiles

COC(C)(C)C1CCC(C)(CC1)OC

InChI

InChI=1S/C12H24O2/c1-11(2,13-4)10-6-8-12(3,14-5)9-7-10/h10H,6-9H2,1-5H3/t10-,12-

Property Name	Value
Molecular Formula	C12H24O2
Molecular Weight	200.18
AlogP	3.01
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	18.46
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H24O2

Molecular Weight

200.18

AlogP

3.01

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

18.46

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	26946-66-7
NORMAN SUSDAT
FDA SRS	9CB7SAZ6HR
PubChem	3015339
ChemSpider	2283499.0

Resources

Reference

CAS NUMBER

26946-66-7

NORMAN SUSDAT

FDA SRS

9CB7SAZ6HR

PubChem

3015339

ChemSpider

2283499.0

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-METHOXY-4-(1-METHOXY-1-METHYLETHYL)-1-METHYLCYCLOHEXANE

Structure

Physicochemical Descriptors

Cross References