phosphanyl tetradecane-1-sulfonate

C14H31O3PS — CID 139601424

IUPACphosphanyl tetradecane-1-sulfonate
SMILESCCCCCCCCCCCCCCS(=O)(=O)OP
InChIInChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15,16)17-18/h2-14,18H2,1H3
InChIKeySGAZECIXGLEWJR-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.82
Rot. Bonds14

About phosphanyl tetradecane-1-sulfonate

phosphanyl tetradecane-1-sulfonate (PubChem CID 139601424) has the molecular formula C14H31O3PS and a molecular weight of 310.44 g/mol. Its IUPAC name is phosphanyl tetradecane-1-sulfonate.

Molecular Properties

Compound Namephosphanyl tetradecane-1-sulfonate
PubChem CID139601424
Molecular FormulaC14H31O3PS
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Namephosphanyl tetradecane-1-sulfonate
SMILESCCCCCCCCCCCCCCS(=O)(=O)OP
InChIInChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15,16)17-18/h2-14,18H2,1H3
InChIKeySGAZECIXGLEWJR-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
lithium octane-1-sulfonoperoxoate
CID 158949826
tridecyl tridecane-1-sulfonate
CID 123645713
azane;ethyl hexane-1-sulfonate
CID 174617270
fluoro octane-1-sulfonate;zirconium
CID 175196316
hexadecyl octane-1-sulfonate
CID 172859291
azane;henicosyl dodecane-1-sulfonate
CID 175159978
potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463
hydroxymethyl heptane-1-sulfonate
CID 174685391
dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
CID 174960478

Frequently Asked Questions

What is the IUPAC name of phosphanyl tetradecane-1-sulfonate?
The IUPAC name of phosphanyl tetradecane-1-sulfonate (CID 139601424) is phosphanyl tetradecane-1-sulfonate.
What is the SMILES notation for phosphanyl tetradecane-1-sulfonate?
The canonical SMILES for phosphanyl tetradecane-1-sulfonate is CCCCCCCCCCCCCCS(=O)(=O)OP.
What is the InChIKey of phosphanyl tetradecane-1-sulfonate?
The InChIKey is SGAZECIXGLEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15,16)17-18/h2-14,18H2,1H3.
What are the key properties of phosphanyl tetradecane-1-sulfonate?
phosphanyl tetradecane-1-sulfonate has a molecular weight of 310.44 g/mol, XLogP of 4.82, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl tetradecane-1-sulfonate is sourced from PubChem (CID 139601424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).