1-(hydroxyamino)hexane-1,1-diol

C6H15NO3 — CID 88704988

IUPAC1-(hydroxyamino)hexane-1,1-diol
SMILESCCCCCC(O)(O)NO
InChIInChI=1S/C6H15NO3/c1-2-3-4-5-6(8,9)7-10/h7-10H,2-5H2,1H3
InChIKeyZFOWFTCBZRFTBX-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.18
Rot. Bonds5

About 1-(hydroxyamino)hexane-1,1-diol

1-(hydroxyamino)hexane-1,1-diol (PubChem CID 88704988) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(hydroxyamino)hexane-1,1-diol.

Molecular Properties

Compound Name1-(hydroxyamino)hexane-1,1-diol
PubChem CID88704988
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-(hydroxyamino)hexane-1,1-diol
SMILESCCCCCC(O)(O)NO
InChIInChI=1S/C6H15NO3/c1-2-3-4-5-6(8,9)7-10/h7-10H,2-5H2,1H3
InChIKeyZFOWFTCBZRFTBX-UHFFFAOYSA-N
XLogP0.18
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hexylhexadecan-7-ol
CID 141253911
triacontane-1,1,1-triol
CID 87376487
docosane-10,10-diol
CID 20528880
tritriacontane-15,15,16,16-tetrol
CID 19863089
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
2,3,3-trimethylnonan-2-ol
CID 149434403
2-methyldodecan-2-ol
CID 547702
hexadecane-1,1,1-triol;hydrobromide
CID 174918449
octane-3,3-diol
CID 157318438
azane;5,6-dibutylundecane-5,6-diol;hydrate
CID 175455322

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)hexane-1,1-diol?
The IUPAC name of 1-(hydroxyamino)hexane-1,1-diol (CID 88704988) is 1-(hydroxyamino)hexane-1,1-diol.
What is the SMILES notation for 1-(hydroxyamino)hexane-1,1-diol?
The canonical SMILES for 1-(hydroxyamino)hexane-1,1-diol is CCCCCC(O)(O)NO.
What is the InChIKey of 1-(hydroxyamino)hexane-1,1-diol?
The InChIKey is ZFOWFTCBZRFTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-2-3-4-5-6(8,9)7-10/h7-10H,2-5H2,1H3.
What are the key properties of 1-(hydroxyamino)hexane-1,1-diol?
1-(hydroxyamino)hexane-1,1-diol has a molecular weight of 149.19 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)hexane-1,1-diol is sourced from PubChem (CID 88704988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).