1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane

C8H20N2O7 — CID 88965625

IUPAC1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
SMILESCC(C)CCOCC(CON(O)O)ON(O)O
InChIInChI=1S/C8H20N2O7/c1-7(2)3-4-15-5-8(17-10(13)14)6-16-9(11)12/h7-8,11-14H,3-6H2,1-2H3
InChIKeyUYQNNWABNRYVSC-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.44
Rot. Bonds10

About 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane

1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane (PubChem CID 88965625) has the molecular formula C8H20N2O7 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane.

Molecular Properties

Compound Name1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
PubChem CID88965625
Molecular FormulaC8H20N2O7
Molecular Weight256.25 g/mol
Exact Mass256.13
IUPAC Name1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
SMILESCC(C)CCOCC(CON(O)O)ON(O)O
InChIInChI=1S/C8H20N2O7/c1-7(2)3-4-15-5-8(17-10(13)14)6-16-9(11)12/h7-8,11-14H,3-6H2,1-2H3
InChIKeyUYQNNWABNRYVSC-UHFFFAOYSA-N
XLogP0.44
TPSA115.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

1-[(2S)-2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965703
(2R)-2-(dihydroxyamino)oxy-5-methylhexane
CID 88965565
[(3S)-3,4-bis[(dihydroxyamino)oxy]butyl] tert-butyl carbonate
CID 88977518
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-4-(3-methylbutoxy)butan-2-ol
CID 90701438
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
1-(3-methylbutoxy)butan-2-yl nitrate
CID 58209334
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
N-[2-[2-[1,3-bis[2-[bis(3-methylbutyl)amino]ethoxy]propan-2-yloxy]-3-[2-[bis(3-methylbutyl)amino]ethoxy]propoxy]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 135274546
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane?
The IUPAC name of 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane (CID 88965625) is 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane.
What is the SMILES notation for 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane?
The canonical SMILES for 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane is CC(C)CCOCC(CON(O)O)ON(O)O.
What is the InChIKey of 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane?
The InChIKey is UYQNNWABNRYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O7/c1-7(2)3-4-15-5-8(17-10(13)14)6-16-9(11)12/h7-8,11-14H,3-6H2,1-2H3.
What are the key properties of 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane?
1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane has a molecular weight of 256.25 g/mol, XLogP of 0.44, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane is sourced from PubChem (CID 88965625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).