1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol

C19H37N2O+ — CID 101409300

IUPAC1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol
SMILESCCCCCCCCCCn1cc[n+](CC(O)CCCC)c1
InChIInChI=1S/C19H37N2O/c1-3-5-7-8-9-10-11-12-14-20-15-16-21(18-20)17-19(22)13-6-4-2/h15-16,18-19,22H,3-14,17H2,1-2H3/q+1
InChIKeySQWFVOXWEBTFEO-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.47
Rot. Bonds14

About 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol

1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol (PubChem CID 101409300) has the molecular formula C19H37N2O+ and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol
PubChem CID101409300
Molecular FormulaC19H37N2O+
Molecular Weight309.52 g/mol
Exact Mass309.29
IUPAC Name1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol
SMILESCCCCCCCCCCn1cc[n+](CC(O)CCCC)c1
InChIInChI=1S/C19H37N2O/c1-3-5-7-8-9-10-11-12-14-20-15-16-21(18-20)17-19(22)13-6-4-2/h15-16,18-19,22H,3-14,17H2,1-2H3/q+1
InChIKeySQWFVOXWEBTFEO-UHFFFAOYSA-N
XLogP4.47
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-pentadecylimidazol-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid
CID 71624439
[1-phosphono-2-(3-tetradecylimidazol-1-ium-1-yl)ethyl]phosphonic acid
CID 71624437
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-propyl-3-undecylimidazol-1-ium
CID 87807956
1-dodecyl-3-(2-ethylhexyl)imidazol-3-ium;2-ethylhexanoate
CID 156821815
(2R)-3-(3-butylimidazol-1-ium-1-yl)-2-methylpropan-1-ol
CID 102500745

Frequently Asked Questions

What is the IUPAC name of 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol?
The IUPAC name of 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol (CID 101409300) is 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol.
What is the SMILES notation for 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol?
The canonical SMILES for 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol is CCCCCCCCCCn1cc[n+](CC(O)CCCC)c1.
What is the InChIKey of 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol?
The InChIKey is SQWFVOXWEBTFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N2O/c1-3-5-7-8-9-10-11-12-14-20-15-16-21(18-20)17-19(22)13-6-4-2/h15-16,18-19,22H,3-14,17H2,1-2H3/q+1.
What are the key properties of 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol?
1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol has a molecular weight of 309.52 g/mol, XLogP of 4.47, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-decylimidazol-1-ium-1-yl)hexan-2-ol is sourced from PubChem (CID 101409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).