11-hydroxytridecan-2-one

C13H26O2 — CID 11687152

IUPAC11-hydroxytridecan-2-one
SMILESCCC(O)CCCCCCCCC(C)=O
InChIInChI=1S/C13H26O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h13,15H,3-11H2,1-2H3
InChIKeyZJLOBTJQHMOYQX-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.47
Rot. Bonds10

About 11-hydroxytridecan-2-one

11-hydroxytridecan-2-one (PubChem CID 11687152) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 11-hydroxytridecan-2-one.

Molecular Properties

Compound Name11-hydroxytridecan-2-one
PubChem CID11687152
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name11-hydroxytridecan-2-one
SMILESCCC(O)CCCCCCCCC(C)=O
InChIInChI=1S/C13H26O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h13,15H,3-11H2,1-2H3
InChIKeyZJLOBTJQHMOYQX-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
13-hydroxyheptadecan-2-one
CID 164804784
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one
CID 10990494
10,13-dihydroxynonadecan-2-one
CID 164804782
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
10,13-dihydroxyhenicosan-2-one;10,13-dihydroxyheptadecan-2-one;10,13-dihydroxynonadecan-2-one;10,13-dihydroxypentadecan-2-one;10,13-dihydroxytridecan-2-one;13-hydroxyhenicosan-2-one;13-hydroxyheptadecan-2-one;13-hydroxynonadecan-2-one;13-hydroxypentadecan-2-one;13-hydroxytridecan-2-one
CID 165096414
18,18-dihydroxyoctadecan-2-one
CID 123837048
(3R)-3-hydroxytriacontan-11-one
CID 163074404

Frequently Asked Questions

What is the IUPAC name of 11-hydroxytridecan-2-one?
The IUPAC name of 11-hydroxytridecan-2-one (CID 11687152) is 11-hydroxytridecan-2-one.
What is the SMILES notation for 11-hydroxytridecan-2-one?
The canonical SMILES for 11-hydroxytridecan-2-one is CCC(O)CCCCCCCCC(C)=O.
What is the InChIKey of 11-hydroxytridecan-2-one?
The InChIKey is ZJLOBTJQHMOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h13,15H,3-11H2,1-2H3.
What are the key properties of 11-hydroxytridecan-2-one?
11-hydroxytridecan-2-one has a molecular weight of 214.35 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxytridecan-2-one is sourced from PubChem (CID 11687152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).