EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90189555

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90189555


InChI Key	REPVLJRCJUVQFA-XGEHTFHBSA-N
Smiles	CC1C2CC(CC1O)C2(C)C
InChI	InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1

InChI Key

REPVLJRCJUVQFA-XGEHTFHBSA-N

Smiles

CC1C2CC(CC1O)C2(C)C

InChI

InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1

Property Name	Value
Molecular Formula	C10H18O1
Molecular Weight	154.14
AlogP	2.05
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H18O1

Molecular Weight

154.14

AlogP

2.05

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	35997-96-7
NORMAN SUSDAT
PubChem	56843192
ChemSpider	19974559.0

Resources

Reference

CAS NUMBER

35997-96-7

NORMAN SUSDAT

PubChem

56843192

ChemSpider

19974559.0

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...

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Last update: Monday, 3 November 2025

(1S-(1ALPHA,2ALPHA,3BETA,5ALPHA))-2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTAN-3-OL

Structure

Physicochemical Descriptors

Cross References