EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	B2321D186B
EPA CompTox	DTXSID20864287

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

B2321D186B

EPA CompTox

DTXSID20864287


InChI Key	FGZXHVORLPLICA-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(C)CO
InChI	InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3

InChI Key

FGZXHVORLPLICA-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(C)CO

InChI

InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3

Property Name	Value
Molecular Formula	C12H26O1
Molecular Weight	186.2
AlogP	3.76
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	20.23
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C12H26O1

Molecular Weight

186.2

AlogP

3.76

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

20.23

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	10522-26-6
NORMAN SUSDAT
FDA SRS	B2321D186B
PubChem	66341
ChemSpider	59719.0

Resources

Reference

CAS NUMBER

10522-26-6

NORMAN SUSDAT

FDA SRS

B2321D186B

PubChem

66341

ChemSpider

59719.0

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

2-METHYL-1-UNDECANOL

Structure

Physicochemical Descriptors

Cross References