CID 158400651

C13H28NaO4S — CID 158400651

IUPAC—
SMILESCCCCCCCCCCCCOS(=O)(=O)OC.[Na]
InChIInChI=1S/C13H28O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16-2;/h3-13H2,1-2H3;
InChIKeyGYBGISCHRVNSSC-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.43
Rot. Bonds13

About CID 158400651

CID 158400651 (PubChem CID 158400651) has the molecular formula C13H28NaO4S and a molecular weight of 303.42 g/mol.

Molecular Properties

Compound NameCID 158400651
PubChem CID158400651
Molecular FormulaC13H28NaO4S
Molecular Weight303.42 g/mol
Exact Mass303.16
IUPAC Name—
SMILESCCCCCCCCCCCCOS(=O)(=O)OC.[Na]
InChIInChI=1S/C13H28O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16-2;/h3-13H2,1-2H3;
InChIKeyGYBGISCHRVNSSC-UHFFFAOYSA-N
XLogP3.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;methyl octadecyl sulfate
CID 89401609
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
ethyl octyl sulfate
CID 22483719
bis(3-hexoxypropyl) sulfate
CID 139845289
dodecyl methyl sulfate
CID 90892566
CID 87817922
CID 87817922
4,7-dioxododecyl methyl sulfate
CID 163545261

Frequently Asked Questions

What is the IUPAC name of CID 158400651?
The IUPAC name of CID 158400651 (CID 158400651) is not available.
What is the SMILES notation for CID 158400651?
The canonical SMILES for CID 158400651 is CCCCCCCCCCCCOS(=O)(=O)OC.[Na].
What is the InChIKey of CID 158400651?
The InChIKey is GYBGISCHRVNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16-2;/h3-13H2,1-2H3;.
What are the key properties of CID 158400651?
CID 158400651 has a molecular weight of 303.42 g/mol, XLogP of 3.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158400651 is sourced from PubChem (CID 158400651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).