O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine

C60H125N3O3 — CID 22082484

IUPACO-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine
SMILESCCCCCCCCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCCCCCCCC)ON)C(CCCCCCCCCCCCCCCCCC)ON)ON
InChIInChI=1S/C60H125N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(64-61)55-57(60(66-63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-59(65-62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57-60H,4-56,61-63H2,1-3H3
InChIKeyVHXDPQOSMRYRIT-UHFFFAOYSA-N
MW936.68 g/mol
LogP20.11
Rot. Bonds59

About O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine

O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine (PubChem CID 22082484) has the molecular formula C60H125N3O3 and a molecular weight of 936.68 g/mol. Its IUPAC name is O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine
PubChem CID22082484
Molecular FormulaC60H125N3O3
Molecular Weight936.68 g/mol
Exact Mass935.97
IUPAC NameO-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine
SMILESCCCCCCCCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCCCCCCCC)ON)C(CCCCCCCCCCCCCCCCCC)ON)ON
InChIInChI=1S/C60H125N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(64-61)55-57(60(66-63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-59(65-62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57-60H,4-56,61-63H2,1-3H3
InChIKeyVHXDPQOSMRYRIT-UHFFFAOYSA-N
XLogP20.11
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds59
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.68
LogP ≤ 520.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

O-hexadecan-2-ylhydroxylamine
CID 18799052
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
O-(1-aminoheptyl)hydroxylamine
CID 89080647
tripentadecan-6-yl phosphite
CID 87207088
3-icosan-3-yloxyicosane
CID 22595200
(5S)-5-methoxyundecane
CID 118889956
3-pentadecan-3-yloxypentadecane
CID 57200588
CID 87645522
CID 87645522
CID 23342512
CID 23342512
9-ethoxyoctadecane
CID 87148376
heptadecan-9-yloxytin(3+)
CID 23451604

Frequently Asked Questions

What is the IUPAC name of O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine?
The IUPAC name of O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine (CID 22082484) is O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine.
What is the SMILES notation for O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine?
The canonical SMILES for O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine is CCCCCCCCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCCCCCCCC)ON)C(CCCCCCCCCCCCCCCCCC)ON)ON.
What is the InChIKey of O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine?
The InChIKey is VHXDPQOSMRYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H125N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(64-61)55-57(60(66-63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-59(65-62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57-60H,4-56,61-63H2,1-3H3.
What are the key properties of O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine?
O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine has a molecular weight of 936.68 g/mol, XLogP of 20.11, 59 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-aminooxy-2-(2-aminooxyicosyl)-1-octadecyldocosyl]hydroxylamine is sourced from PubChem (CID 22082484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).