EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	YG275Y6SG4
EPA CompTox	DTXSID5061875

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

YG275Y6SG4

EPA CompTox

DTXSID5061875


InChI Key	ZUCMOZYYSZYRRM-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)OC(CO)CO
InChI	InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3

InChI Key

ZUCMOZYYSZYRRM-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3

Property Name	Value
Molecular Formula	C15H30O4
Molecular Weight	274.21
AlogP	2.8
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	66.76
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H30O4

Molecular Weight

274.21

AlogP

2.8

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

66.76

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	1678-45-1
NORMAN SUSDAT
FDA SRS	YG275Y6SG4
PubChem	74297
ChemSpider	66900.0

Resources

Reference

CAS NUMBER

1678-45-1

NORMAN SUSDAT

FDA SRS

YG275Y6SG4

PubChem

74297

ChemSpider

66900.0

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

DODECANOIC ACID, 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL ESTER

Structure

Physicochemical Descriptors

Cross References