9,9-dihydroxydecan-5-yl(trimethyl)azanium

C13H30NO2+ — CID 141455394

IUPAC9,9-dihydroxydecan-5-yl(trimethyl)azanium
SMILESCCCCC(CCCC(C)(O)O)[N+](C)(C)C
InChIInChI=1S/C13H30NO2/c1-6-7-9-12(14(3,4)5)10-8-11-13(2,15)16/h12,15-16H,6-11H2,1-5H3/q+1
InChIKeyXRJFCBSTBJIERG-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.12
Rot. Bonds8

About 9,9-dihydroxydecan-5-yl(trimethyl)azanium

9,9-dihydroxydecan-5-yl(trimethyl)azanium (PubChem CID 141455394) has the molecular formula C13H30NO2+ and a molecular weight of 232.39 g/mol. Its IUPAC name is 9,9-dihydroxydecan-5-yl(trimethyl)azanium.

Molecular Properties

Compound Name9,9-dihydroxydecan-5-yl(trimethyl)azanium
PubChem CID141455394
Molecular FormulaC13H30NO2+
Molecular Weight232.39 g/mol
Exact Mass232.23
IUPAC Name9,9-dihydroxydecan-5-yl(trimethyl)azanium
SMILESCCCCC(CCCC(C)(O)O)[N+](C)(C)C
InChIInChI=1S/C13H30NO2/c1-6-7-9-12(14(3,4)5)10-8-11-13(2,15)16/h12,15-16H,6-11H2,1-5H3/q+1
InChIKeyXRJFCBSTBJIERG-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(nonan-5-yl)azanium
CID 14113823
decan-5-yl(trimethyl)azanium
CID 71390285
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
tetra(octan-4-yl)azanium fluoride
CID 87832016
2,2,6,7-tetramethylundecane
CID 123602815
(3R,5R)-2,3-dimethylnonane-2,5-diol
CID 10465096
2,3-dichloroheptan-2-ol
CID 150485073
(2S)-2-butyl-3-methylbutane-1,3-diol
CID 139881591
(1-chloro-2-hydroxypentadecan-4-yl)-trimethylazanium
CID 158970129
[2-hexadecyl-2-hydroxy-1-(trimethylazaniumyl)octadecyl]phosphanide
CID 87088329

Frequently Asked Questions

What is the IUPAC name of 9,9-dihydroxydecan-5-yl(trimethyl)azanium?
The IUPAC name of 9,9-dihydroxydecan-5-yl(trimethyl)azanium (CID 141455394) is 9,9-dihydroxydecan-5-yl(trimethyl)azanium.
What is the SMILES notation for 9,9-dihydroxydecan-5-yl(trimethyl)azanium?
The canonical SMILES for 9,9-dihydroxydecan-5-yl(trimethyl)azanium is CCCCC(CCCC(C)(O)O)[N+](C)(C)C.
What is the InChIKey of 9,9-dihydroxydecan-5-yl(trimethyl)azanium?
The InChIKey is XRJFCBSTBJIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO2/c1-6-7-9-12(14(3,4)5)10-8-11-13(2,15)16/h12,15-16H,6-11H2,1-5H3/q+1.
What are the key properties of 9,9-dihydroxydecan-5-yl(trimethyl)azanium?
9,9-dihydroxydecan-5-yl(trimethyl)azanium has a molecular weight of 232.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihydroxydecan-5-yl(trimethyl)azanium is sourced from PubChem (CID 141455394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).