EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7QEG8PAU5X
EPA CompTox	DTXSID80938493

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7QEG8PAU5X

EPA CompTox

DTXSID80938493


InChI Key	CPUVYIYQJVQFRD-UHFFFAOYSA-N
Smiles	C=CC1(C)CC=C(C)CC1
InChI	InChI=1/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h4-5H,1,6-8H2,2-3H3

InChI Key

CPUVYIYQJVQFRD-UHFFFAOYSA-N

Smiles

C=CC1(C)CC=C(C)CC1

InChI

InChI=1/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h4-5H,1,6-8H2,2-3H3

Property Name	Value
Molecular Formula	C10H16
Molecular Weight	136.13
AlogP	3.31
Number of Rotational Bond	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C10H16

Molecular Weight

136.13

AlogP

3.31

Number of Rotational Bond

1.0

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1743-61-9
NORMAN SUSDAT
FDA SRS	7QEG8PAU5X
PubChem	102683

Resources

Reference

CAS NUMBER

1743-61-9

NORMAN SUSDAT

FDA SRS

7QEG8PAU5X

PubChem

102683

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-DIMETHYL-4-VINYLCYCLOHEXENE

Structure

Physicochemical Descriptors

Cross References