sodium;1-dodecoxydodecane;sulfite

C24H50NaO4S- — CID 89262454

IUPACsodium;1-dodecoxydodecane;sulfite
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.O=S([O-])[O-].[Na+]
InChIInChI=1S/C24H50O.Na.H2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;1-4(2)3/h3-24H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2
InChIKeyGHDZZKAODNTFIV-UHFFFAOYSA-L
MW457.72 g/mol
LogP4.84
Rot. Bonds22

About sodium;1-dodecoxydodecane;sulfite

sodium;1-dodecoxydodecane;sulfite (PubChem CID 89262454) has the molecular formula C24H50NaO4S- and a molecular weight of 457.72 g/mol. Its IUPAC name is sodium;1-dodecoxydodecane;sulfite.

Molecular Properties

Compound Namesodium;1-dodecoxydodecane;sulfite
PubChem CID89262454
Molecular FormulaC24H50NaO4S-
Molecular Weight457.72 g/mol
Exact Mass457.33
IUPAC Namesodium;1-dodecoxydodecane;sulfite
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.O=S([O-])[O-].[Na+]
InChIInChI=1S/C24H50O.Na.H2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;1-4(2)3/h3-24H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2
InChIKeyGHDZZKAODNTFIV-UHFFFAOYSA-L
XLogP4.84
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.72
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-dodecoxypropane-1-sulfinate
CID 57250750
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
disodium;1-tridecoxytridecane;sulfate
CID 57376278
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
disodium;1-hexadecoxyoctadecane;sulfate
CID 175155385

Frequently Asked Questions

What is the IUPAC name of sodium;1-dodecoxydodecane;sulfite?
The IUPAC name of sodium;1-dodecoxydodecane;sulfite (CID 89262454) is sodium;1-dodecoxydodecane;sulfite.
What is the SMILES notation for sodium;1-dodecoxydodecane;sulfite?
The canonical SMILES for sodium;1-dodecoxydodecane;sulfite is CCCCCCCCCCCCOCCCCCCCCCCCC.O=S([O-])[O-].[Na+].
What is the InChIKey of sodium;1-dodecoxydodecane;sulfite?
The InChIKey is GHDZZKAODNTFIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H50O.Na.H2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;1-4(2)3/h3-24H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2.
What are the key properties of sodium;1-dodecoxydodecane;sulfite?
sodium;1-dodecoxydodecane;sulfite has a molecular weight of 457.72 g/mol, XLogP of 4.84, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-dodecoxydodecane;sulfite is sourced from PubChem (CID 89262454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).