1-oxidooxyhexane

C6H13O2- — CID 59678761

IUPAC1-oxidooxyhexane
SMILESCCCCCCO[O-]
InChIInChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3/p-1
InChIKeyRZICEOJUAFHYFO-UHFFFAOYSA-M
MW117.17 g/mol
LogP0.86
Rot. Bonds5

About 1-oxidooxyhexane

1-oxidooxyhexane (PubChem CID 59678761) has the molecular formula C6H13O2- and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-oxidooxyhexane.

Molecular Properties

Compound Name1-oxidooxyhexane
PubChem CID59678761
Molecular FormulaC6H13O2-
Molecular Weight117.17 g/mol
Exact Mass117.09
IUPAC Name1-oxidooxyhexane
SMILESCCCCCCO[O-]
InChIInChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3/p-1
InChIKeyRZICEOJUAFHYFO-UHFFFAOYSA-M
XLogP0.86
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanol, sodium salt (1:1)
CID 23693624
Pentyl hydroperoxide
CID 135961
Hydroperoxide, hexyl
CID 138185
1,2-Dioxocane
CID 138771
Di-n-hexylperoxid
CID 12216030
Hexane perchlorate
CID 12776840
Dioxaoctanol
CID 18991850
Hexane sufonate
CID 20316876
Chlorhexoxyd
CID 21567848
Butylperoxy hexane
CID 22714819
Lithium 1-hexanolate
CID 23678648
Kaliumhexylat
CID 23698043

Frequently Asked Questions

What is the IUPAC name of 1-oxidooxyhexane?
The IUPAC name of 1-oxidooxyhexane (CID 59678761) is 1-oxidooxyhexane.
What is the SMILES notation for 1-oxidooxyhexane?
The canonical SMILES for 1-oxidooxyhexane is CCCCCCO[O-].
What is the InChIKey of 1-oxidooxyhexane?
The InChIKey is RZICEOJUAFHYFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3/p-1.
What are the key properties of 1-oxidooxyhexane?
1-oxidooxyhexane has a molecular weight of 117.17 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidooxyhexane is sourced from PubChem (CID 59678761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).