EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1558K6RHM3
EPA CompTox	DTXSID9041813

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1558K6RHM3

EPA CompTox

DTXSID9041813


InChI Key	OSINZLLLLCUKJH-UHFFFAOYSA-N
Smiles	OCC1CCC(C)CC1
InChI	InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3/t7-,8-

InChI Key

OSINZLLLLCUKJH-UHFFFAOYSA-N

Smiles

OCC1CCC(C)CC1

InChI

InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3/t7-,8-

Property Name	Value
Molecular Formula	C8H16O1
Molecular Weight	128.12
AlogP	1.81
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C8H16O1

Molecular Weight

128.12

AlogP

1.81

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	34885-03-5
NORMAN SUSDAT
FDA SRS	1558K6RHM3
PubChem	118193
ChemSpider	105625.0

Resources

Reference

CAS NUMBER

34885-03-5

NORMAN SUSDAT

FDA SRS

1558K6RHM3

PubChem

118193

ChemSpider

105625.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4-METHYLCYCLOHEXANEMETHANOL

Structure

Physicochemical Descriptors

Cross References