tetrakis(3-hydroxypentyl)azanium chloride

C20H44ClNO4 — CID 88657086

IUPACtetrakis(3-hydroxypentyl)azanium chloride
SMILESCCC(O)CC[N+](CCC(O)CC)(CCC(O)CC)CCC(O)CC.[Cl-]
InChIInChI=1S/C20H44NO4.ClH/c1-5-17(22)9-13-21(14-10-18(23)6-2,15-11-19(24)7-3)16-12-20(25)8-4;/h17-20,22-25H,5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyGPKJHYUXIQQWLD-UHFFFAOYSA-M
MW398.03 g/mol
LogP-0.55
Rot. Bonds16

About tetrakis(3-hydroxypentyl)azanium chloride

tetrakis(3-hydroxypentyl)azanium chloride (PubChem CID 88657086) has the molecular formula C20H44ClNO4 and a molecular weight of 398.03 g/mol. Its IUPAC name is tetrakis(3-hydroxypentyl)azanium chloride.

Molecular Properties

Compound Nametetrakis(3-hydroxypentyl)azanium chloride
PubChem CID88657086
Molecular FormulaC20H44ClNO4
Molecular Weight398.03 g/mol
Exact Mass397.30
IUPAC Nametetrakis(3-hydroxypentyl)azanium chloride
SMILESCCC(O)CC[N+](CCC(O)CC)(CCC(O)CC)CCC(O)CC.[Cl-]
InChIInChI=1S/C20H44NO4.ClH/c1-5-17(22)9-13-21(14-10-18(23)6-2,15-11-19(24)7-3)16-12-20(25)8-4;/h17-20,22-25H,5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyGPKJHYUXIQQWLD-UHFFFAOYSA-M
XLogP-0.55
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.03
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
hexan-3-ol
CID 12178
nonane-3,7-diol
CID 22141483
hexadecyl-(3-hydroxypentyl)-bis(3-hydroxypropyl)azanium;hydrogen sulfate
CID 173171719
pentan-3-ol
CID 11428
hexan-3-ol;λ2-plumbane
CID 174675580
ethane;heptan-3-ol;yttrium
CID 178141983
icosan-3-ol
CID 14940768
heptan-2-ol;heptan-3-ol
CID 156500296
icosane-3,10-diol
CID 141217833
bis(3,3-dihydroxypropyl)-bis(3-methylbutyl)azanium chloride
CID 159936149

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-hydroxypentyl)azanium chloride?
The IUPAC name of tetrakis(3-hydroxypentyl)azanium chloride (CID 88657086) is tetrakis(3-hydroxypentyl)azanium chloride.
What is the SMILES notation for tetrakis(3-hydroxypentyl)azanium chloride?
The canonical SMILES for tetrakis(3-hydroxypentyl)azanium chloride is CCC(O)CC[N+](CCC(O)CC)(CCC(O)CC)CCC(O)CC.[Cl-].
What is the InChIKey of tetrakis(3-hydroxypentyl)azanium chloride?
The InChIKey is GPKJHYUXIQQWLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44NO4.ClH/c1-5-17(22)9-13-21(14-10-18(23)6-2,15-11-19(24)7-3)16-12-20(25)8-4;/h17-20,22-25H,5-16H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrakis(3-hydroxypentyl)azanium chloride?
tetrakis(3-hydroxypentyl)azanium chloride has a molecular weight of 398.03 g/mol, XLogP of -0.55, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-hydroxypentyl)azanium chloride is sourced from PubChem (CID 88657086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).