EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID50403300

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID50403300


InChI Key	RFCHIDVGNNTTBW-UHFFFAOYSA-N
Smiles	OCCCCCC(=O)OCCCCCC(=O)OCCOC(=O)C=C
InChI	InChI=1S/C17H28O7/c1-2-15(19)23-13-14-24-17(21)10-6-4-8-12-22-16(20)9-5-3-7-11-18/h2,18H,1,3-14H2

InChI Key

RFCHIDVGNNTTBW-UHFFFAOYSA-N

Smiles

OCCCCCC(=O)OCCCCCC(=O)OCCOC(=O)C=C

InChI

InChI=1S/C17H28O7/c1-2-15(19)23-13-14-24-17(21)10-6-4-8-12-22-16(20)9-5-3-7-11-18/h2,18H,1,3-14H2

Property Name	Value
Molecular Formula	C17H28O7
Molecular Weight	344.18
AlogP	1.92
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	99.13
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H28O7

Molecular Weight

344.18

AlogP

1.92

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

99.13

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	80413-52-1
NORMAN SUSDAT
PubChem	4438228

Resources

Reference

CAS NUMBER

80413-52-1

NORMAN SUSDAT

PubChem

4438228

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

HYDROXYPOLYESTER ACRYLATE

Structure

Physicochemical Descriptors

Cross References