8-hydroxydodecan-2-yl(trimethyl)azanium

C15H34NO+ — CID 174636194

IUPAC8-hydroxydodecan-2-yl(trimethyl)azanium
SMILESCCCCC(O)CCCCCC(C)[N+](C)(C)C
InChIInChI=1S/C15H34NO/c1-6-7-12-15(17)13-10-8-9-11-14(2)16(3,4)5/h14-15,17H,6-13H2,1-5H3/q+1
InChIKeyZVKYDNSBICXHNQ-UHFFFAOYSA-N
MW244.44 g/mol
LogP3.58
Rot. Bonds10

About 8-hydroxydodecan-2-yl(trimethyl)azanium

8-hydroxydodecan-2-yl(trimethyl)azanium (PubChem CID 174636194) has the molecular formula C15H34NO+ and a molecular weight of 244.44 g/mol. Its IUPAC name is 8-hydroxydodecan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name8-hydroxydodecan-2-yl(trimethyl)azanium
PubChem CID174636194
Molecular FormulaC15H34NO+
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name8-hydroxydodecan-2-yl(trimethyl)azanium
SMILESCCCCC(O)CCCCCC(C)[N+](C)(C)C
InChIInChI=1S/C15H34NO/c1-6-7-12-15(17)13-10-8-9-11-14(2)16(3,4)5/h14-15,17H,6-13H2,1-5H3/q+1
InChIKeyZVKYDNSBICXHNQ-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

docosan-2-yl(trimethyl)azanium
CID 141375855
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
dodecan-5-ol;phosphane;sulfane;zinc
CID 174611842
octadecane-2,14-diol
CID 170722506
2-methyldodecane-1,8-diol
CID 59660146
8-hydroxydodecyl(trimethyl)azanium
CID 88724147
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of 8-hydroxydodecan-2-yl(trimethyl)azanium?
The IUPAC name of 8-hydroxydodecan-2-yl(trimethyl)azanium (CID 174636194) is 8-hydroxydodecan-2-yl(trimethyl)azanium.
What is the SMILES notation for 8-hydroxydodecan-2-yl(trimethyl)azanium?
The canonical SMILES for 8-hydroxydodecan-2-yl(trimethyl)azanium is CCCCC(O)CCCCCC(C)[N+](C)(C)C.
What is the InChIKey of 8-hydroxydodecan-2-yl(trimethyl)azanium?
The InChIKey is ZVKYDNSBICXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO/c1-6-7-12-15(17)13-10-8-9-11-14(2)16(3,4)5/h14-15,17H,6-13H2,1-5H3/q+1.
What are the key properties of 8-hydroxydodecan-2-yl(trimethyl)azanium?
8-hydroxydodecan-2-yl(trimethyl)azanium has a molecular weight of 244.44 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxydodecan-2-yl(trimethyl)azanium is sourced from PubChem (CID 174636194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).