EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	596C064IG4
EPA CompTox	DTXSID0020604

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

596C064IG4

EPA CompTox

DTXSID0020604


InChI Key	OECTYKWYRCHAKR-UHFFFAOYNA-N
Smiles	C1OC1C1CCC2OC2C1
InChI	InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2/t5-,6-,7+,8-/m1/s1

InChI Key

OECTYKWYRCHAKR-UHFFFAOYNA-N

Smiles

C1OC1C1CCC2OC2C1

InChI

InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2/t5-,6-,7+,8-/m1/s1

Property Name	Value
Molecular Formula	C8H12O2
Molecular Weight	140.08
AlogP	0.95
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	25.06
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H12O2

Molecular Weight

140.08

AlogP

0.95

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

25.06

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	106-87-6
NORMAN SUSDAT
FDA SRS	596C064IG4
ChemSpider	7545.0

Resources

Reference

CAS NUMBER

106-87-6

NORMAN SUSDAT

FDA SRS

596C064IG4

ChemSpider

7545.0

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

4-VINYL-1-CYCLOHEXENE DIOXIDE

Structure

Physicochemical Descriptors

Cross References