EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5WSM6WVZ8J
EPA CompTox	DTXSID60975245

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5WSM6WVZ8J

EPA CompTox

DTXSID60975245


InChI Key	MMDIPEMQOQIJRH-UHFFFAOYSA-N
Smiles	O1CCC(=C)CC1CC(C)C
InChI	InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h8,10H,3-7H2,1-2H3

InChI Key

MMDIPEMQOQIJRH-UHFFFAOYSA-N

Smiles

O1CCC(=C)CC1CC(C)C

InChI

InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h8,10H,3-7H2,1-2H3

Property Name	Value
Molecular Formula	C10H18O
Molecular Weight	154.14
AlogP	2.77
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	9.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H18O

Molecular Weight

154.14

AlogP

2.77

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

9.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	59848-66-7
NORMAN SUSDAT
FDA SRS	5WSM6WVZ8J
PubChem	108399

Resources

Reference

CAS NUMBER

59848-66-7

NORMAN SUSDAT

FDA SRS

5WSM6WVZ8J

PubChem

108399

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

TETRAHYDRO-4-METHYLENE-2-(2-METHYLPROPYL)-2H-PYRAN

Structure

Physicochemical Descriptors

Cross References