(2R)-2-(dihydroxyamino)oxy-5-methylhexane

C7H17NO3 — CID 88965565

IUPAC(2R)-2-(dihydroxyamino)oxy-5-methylhexane
SMILESCC(C)CC[C@@H](C)ON(O)O
InChIInChI=1S/C7H17NO3/c1-6(2)4-5-7(3)11-8(9)10/h6-7,9-10H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyJZDFCHMDQSSTHN-SSDOTTSWSA-N
MW163.22 g/mol
LogP1.82
Rot. Bonds5

About (2R)-2-(dihydroxyamino)oxy-5-methylhexane

(2R)-2-(dihydroxyamino)oxy-5-methylhexane (PubChem CID 88965565) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-2-(dihydroxyamino)oxy-5-methylhexane.

Molecular Properties

Compound Name(2R)-2-(dihydroxyamino)oxy-5-methylhexane
PubChem CID88965565
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(2R)-2-(dihydroxyamino)oxy-5-methylhexane
SMILESCC(C)CC[C@@H](C)ON(O)O
InChIInChI=1S/C7H17NO3/c1-6(2)4-5-7(3)11-8(9)10/h6-7,9-10H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyJZDFCHMDQSSTHN-SSDOTTSWSA-N
XLogP1.82
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol
CID 88965637
5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
CID 89005665
1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965625
1-[(2S)-2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965703
2-methoxy-5,6,9-trimethyldecane
CID 144623899
propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
CID 89005667
[(3R,6R,6aR)-6-[5-(dihydroxyamino)oxyhexanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 5-(dihydroxyamino)oxyhexanoate
CID 89160595
[(2S)-5-methylhexan-2-yl] hydrogen sulfate
CID 89320849
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
2,5,6-trimethyl-9-propoxydecane
CID 143799470
2-hexan-2-yloxy-5-methylhexane
CID 91272362
propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
CID 89005640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dihydroxyamino)oxy-5-methylhexane?
The IUPAC name of (2R)-2-(dihydroxyamino)oxy-5-methylhexane (CID 88965565) is (2R)-2-(dihydroxyamino)oxy-5-methylhexane.
What is the SMILES notation for (2R)-2-(dihydroxyamino)oxy-5-methylhexane?
The canonical SMILES for (2R)-2-(dihydroxyamino)oxy-5-methylhexane is CC(C)CC[C@@H](C)ON(O)O.
What is the InChIKey of (2R)-2-(dihydroxyamino)oxy-5-methylhexane?
The InChIKey is JZDFCHMDQSSTHN-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(2)4-5-7(3)11-8(9)10/h6-7,9-10H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-(dihydroxyamino)oxy-5-methylhexane?
(2R)-2-(dihydroxyamino)oxy-5-methylhexane has a molecular weight of 163.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dihydroxyamino)oxy-5-methylhexane is sourced from PubChem (CID 88965565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).