CID 87490204

C14H30NaO5S — CID 87490204

IUPAC—
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O.[Na]
InChIInChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);
InChIKeyATVIWQFLMJFCGG-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.36
Rot. Bonds15

About CID 87490204

CID 87490204 (PubChem CID 87490204) has the molecular formula C14H30NaO5S and a molecular weight of 333.45 g/mol.

Molecular Properties

Compound NameCID 87490204
PubChem CID87490204
Molecular FormulaC14H30NaO5S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name—
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O.[Na]
InChIInChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);
InChIKeyATVIWQFLMJFCGG-UHFFFAOYSA-N
XLogP3.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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2-Dodecoxyethyl hydrogen sulfate
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Myristyl sulfate
CID 5248
Ammonium Laureth Sulfate
CID 61913
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204
dodecyl sulfate, (sodium salt)
CID 21909502
Sodium;azane;2-dodecoxyethyl sulfate
CID 155973928
Sulfuric acid, monooctyl ester
CID 8885
Sodium Myreth Sulfate
CID 23682189

Frequently Asked Questions

What is the IUPAC name of CID 87490204?
The IUPAC name of CID 87490204 (CID 87490204) is not available.
What is the SMILES notation for CID 87490204?
The canonical SMILES for CID 87490204 is CCCCCCCCCCCCOCCOS(=O)(=O)O.[Na].
What is the InChIKey of CID 87490204?
The InChIKey is ATVIWQFLMJFCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);.
What are the key properties of CID 87490204?
CID 87490204 has a molecular weight of 333.45 g/mol, XLogP of 3.36, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87490204 is sourced from PubChem (CID 87490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).