sodium 5-decylnaphthalene-1-sulfinate

C20H27NaO2S — CID 23706322

IUPACsodium 5-decylnaphthalene-1-sulfinate
SMILESCCCCCCCCCCc1cccc2c(S(=O)[O-])cccc12.[Na+]
InChIInChI=1S/C20H28O2S.Na/c1-2-3-4-5-6-7-8-9-12-17-13-10-15-19-18(17)14-11-16-20(19)23(21)22;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22);/q;+1/p-1
InChIKeySBXOOHSFFYHREV-UHFFFAOYSA-M
MW354.49 g/mol
LogP2.77
Rot. Bonds10

About sodium 5-decylnaphthalene-1-sulfinate

sodium 5-decylnaphthalene-1-sulfinate (PubChem CID 23706322) has the molecular formula C20H27NaO2S and a molecular weight of 354.49 g/mol. Its IUPAC name is sodium 5-decylnaphthalene-1-sulfinate.

Molecular Properties

Compound Namesodium 5-decylnaphthalene-1-sulfinate
PubChem CID23706322
Molecular FormulaC20H27NaO2S
Molecular Weight354.49 g/mol
Exact Mass354.16
IUPAC Namesodium 5-decylnaphthalene-1-sulfinate
SMILESCCCCCCCCCCc1cccc2c(S(=O)[O-])cccc12.[Na+]
InChIInChI=1S/C20H28O2S.Na/c1-2-3-4-5-6-7-8-9-12-17-13-10-15-19-18(17)14-11-16-20(19)23(21)22;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22);/q;+1/p-1
InChIKeySBXOOHSFFYHREV-UHFFFAOYSA-M
XLogP2.77
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
1-tetradecylnaphthalene
CID 14402128
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
sodium 2,5-di(tridecyl)naphthalene-1-sulfonate
CID 101324391
sodium 2-propylbenzenesulfinate
CID 23668103
potassium 5-nonylnaphthalene-1-sulfonate
CID 101317189
2-dodecylbenzenesulfinic acid
CID 15610301
1-hexyl-4-propylnaphthalene
CID 173269452
sodium 1,5-didecylnaphthalene-2-sulfonate
CID 101325101
potassium;hydride;1-octylnaphthalene
CID 173443599
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900

Frequently Asked Questions

What is the IUPAC name of sodium 5-decylnaphthalene-1-sulfinate?
The IUPAC name of sodium 5-decylnaphthalene-1-sulfinate (CID 23706322) is sodium 5-decylnaphthalene-1-sulfinate.
What is the SMILES notation for sodium 5-decylnaphthalene-1-sulfinate?
The canonical SMILES for sodium 5-decylnaphthalene-1-sulfinate is CCCCCCCCCCc1cccc2c(S(=O)[O-])cccc12.[Na+].
What is the InChIKey of sodium 5-decylnaphthalene-1-sulfinate?
The InChIKey is SBXOOHSFFYHREV-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28O2S.Na/c1-2-3-4-5-6-7-8-9-12-17-13-10-15-19-18(17)14-11-16-20(19)23(21)22;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 5-decylnaphthalene-1-sulfinate?
sodium 5-decylnaphthalene-1-sulfinate has a molecular weight of 354.49 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-decylnaphthalene-1-sulfinate is sourced from PubChem (CID 23706322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).