EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID10993777

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID10993777


InChI Key	YOBYFWCMNQEQLM-UHFFFAOYSA-N
Smiles	CCCCC(=C)C(O)=O.CCCCCCCCCCCCOC(=O)C(C)=C
InChI	InChI=1S/C16H30O2.C7H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3-4-5-6(2)7(8)9/h2,4-14H2,1,3H3;2-5H2,1H3,(H,8,9)

InChI Key

YOBYFWCMNQEQLM-UHFFFAOYSA-N

Smiles

CCCCC(=C)C(O)=O.CCCCCCCCCCCCOC(=O)C(C)=C

InChI

InChI=1S/C16H30O2.C7H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3-4-5-6(2)7(8)9/h2,4-14H2,1,3H3;2-5H2,1H3,(H,8,9)

Property Name	Value
Molecular Formula	C23H42O4
Molecular Weight	382.31
AlogP	6.84
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	63.6
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C23H42O4

Molecular Weight

382.31

AlogP

6.84

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

63.6

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	73018-97-0
NORMAN SUSDAT
PubChem	175389

Resources

Reference

CAS NUMBER

73018-97-0

NORMAN SUSDAT

PubChem

175389

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

ACRYLIC ACID, 2-METHYL-, DODECYL ESTER, POLYMER WITH BUTYL2-PROPENOATE

Structure

Physicochemical Descriptors

Cross References