EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5ZA71HWB8I
EPA CompTox	DTXSID40199169

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5ZA71HWB8I

EPA CompTox

DTXSID40199169


InChI Key	YGUGZXZLWIADHU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCC
InChI	InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

InChI Key

YGUGZXZLWIADHU-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCC

InChI

InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

Property Name	Value
Molecular Formula	C30H62O1
Molecular Weight	438.48
AlogP	11.19
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	28.0
Polar Surface Area	9.23
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C30H62O1

Molecular Weight

438.48

AlogP

11.19

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

28.0

Polar Surface Area

9.23

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	51148-16-4
NORMAN SUSDAT
FDA SRS	5ZA71HWB8I
PubChem	6452350
ChemSpider	4954784.0

Resources

Reference

CAS NUMBER

51148-16-4

NORMAN SUSDAT

FDA SRS

5ZA71HWB8I

PubChem

6452350

ChemSpider

4954784.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,1'-OXYBISPENTADECANE

Structure

Physicochemical Descriptors

Cross References