EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	628V95A212
EPA CompTox	DTXSID90886411

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

628V95A212

EPA CompTox

DTXSID90886411


InChI Key	JRIATCFPZFOVNP-UHFFFAOYSA-N
Smiles	CC(C)=CC1CC(=C)CCO1
InChI	InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,10H,3-5,7H2,1-2H3

InChI Key

JRIATCFPZFOVNP-UHFFFAOYSA-N

Smiles

CC(C)=CC1CC(=C)CCO1

InChI

InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,10H,3-5,7H2,1-2H3

Property Name	Value
Molecular Formula	C10H16O1
Molecular Weight	152.12
AlogP	2.69
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	9.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H16O1

Molecular Weight

152.12

AlogP

2.69

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

9.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	60857-05-8
NORMAN SUSDAT
FDA SRS	628V95A212
PubChem	108520
ChemSpider	97576.0

Resources

Reference

CAS NUMBER

60857-05-8

NORMAN SUSDAT

FDA SRS

628V95A212

PubChem

108520

ChemSpider

97576.0

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

2H-PYRAN, TETRAHYDRO-4-METHYLENE-2-(2-METHYL-1-PROPEN-1-YL)-

Structure

Physicochemical Descriptors

Cross References