EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID8051598

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID8051598


InChI Key	WKHTUDYDJUHYMK-UHFFFAOYSA-N
Smiles	CC(CO)C1CCCCCCCCCCC1
InChI	InChI=1S/C15H30O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3

InChI Key

WKHTUDYDJUHYMK-UHFFFAOYSA-N

Smiles

CC(CO)C1CCCCCCCCCCC1

InChI

InChI=1S/C15H30O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3

Property Name	Value
Molecular Formula	C15H30O1
Molecular Weight	226.23
AlogP	4.54
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.23
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H30O1

Molecular Weight

226.23

AlogP

4.54

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.23

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	118562-73-5
NORMAN SUSDAT
PubChem	9815980
ChemSpider	7991730.0

Resources

Reference

CAS NUMBER

118562-73-5

NORMAN SUSDAT

PubChem

9815980

ChemSpider

7991730.0

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

2-CYCLODODECYLPROPAN-1-OL

Structure

Physicochemical Descriptors

Cross References