sodium 1-oxidooxyoctane

C8H17NaO2 — CID 22094249

IUPACsodium 1-oxidooxyoctane
SMILESCCCCCCCCO[O-].[Na+]
InChIInChI=1S/C8H18O2.Na/c1-2-3-4-5-6-7-8-10-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyAXNGOOCWJQKXQH-UHFFFAOYSA-M
MW168.21 g/mol
LogP-1.36
Rot. Bonds7

About sodium 1-oxidooxyoctane

sodium 1-oxidooxyoctane (PubChem CID 22094249) has the molecular formula C8H17NaO2 and a molecular weight of 168.21 g/mol. Its IUPAC name is sodium 1-oxidooxyoctane.

Molecular Properties

Compound Namesodium 1-oxidooxyoctane
PubChem CID22094249
Molecular FormulaC8H17NaO2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Namesodium 1-oxidooxyoctane
SMILESCCCCCCCCO[O-].[Na+]
InChIInChI=1S/C8H18O2.Na/c1-2-3-4-5-6-7-8-10-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyAXNGOOCWJQKXQH-UHFFFAOYSA-M
XLogP-1.36
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-1.36
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

decane;ruthenium
CID 160818595
disodium;hexyl phosphite
CID 139691830
dodecylmercury;hydrate
CID 78070234
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CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of sodium 1-oxidooxyoctane?
The IUPAC name of sodium 1-oxidooxyoctane (CID 22094249) is sodium 1-oxidooxyoctane.
What is the SMILES notation for sodium 1-oxidooxyoctane?
The canonical SMILES for sodium 1-oxidooxyoctane is CCCCCCCCO[O-].[Na+].
What is the InChIKey of sodium 1-oxidooxyoctane?
The InChIKey is AXNGOOCWJQKXQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O2.Na/c1-2-3-4-5-6-7-8-10-9;/h9H,2-8H2,1H3;/q;+1/p-1.
What are the key properties of sodium 1-oxidooxyoctane?
sodium 1-oxidooxyoctane has a molecular weight of 168.21 g/mol, XLogP of -1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-oxidooxyoctane is sourced from PubChem (CID 22094249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).