CID 162312905

C15H24LiO3S — CID 162312905

IUPAC—
SMILESCCCCCCCCCOS(=O)(=O)c1ccccc1.[Li]
InChIInChI=1S/C15H24O3S.Li/c1-2-3-4-5-6-7-11-14-18-19(16,17)15-12-9-8-10-13-15;/h8-10,12-13H,2-7,11,14H2,1H3;
InChIKeyRCAFPEURKGZHLK-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.76
Rot. Bonds10

About CID 162312905

CID 162312905 (PubChem CID 162312905) has the molecular formula C15H24LiO3S and a molecular weight of 291.36 g/mol.

Molecular Properties

Compound NameCID 162312905
PubChem CID162312905
Molecular FormulaC15H24LiO3S
Molecular Weight291.36 g/mol
Exact Mass291.16
IUPAC Name—
SMILESCCCCCCCCCOS(=O)(=O)c1ccccc1.[Li]
InChIInChI=1S/C15H24O3S.Li/c1-2-3-4-5-6-7-11-14-18-19(16,17)15-12-9-8-10-13-15;/h8-10,12-13H,2-7,11,14H2,1H3;
InChIKeyRCAFPEURKGZHLK-UHFFFAOYSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

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alumane;dodecyl benzenesulfonate
CID 173065737
azane;dodecyl benzenesulfonate
CID 172704339
azane;octyl benzenesulfonate
CID 166707039
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CID 173118998
disodium;dodecyl benzenesulfonate;dibromide
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Frequently Asked Questions

What is the IUPAC name of CID 162312905?
The IUPAC name of CID 162312905 (CID 162312905) is not available.
What is the SMILES notation for CID 162312905?
The canonical SMILES for CID 162312905 is CCCCCCCCCOS(=O)(=O)c1ccccc1.[Li].
What is the InChIKey of CID 162312905?
The InChIKey is RCAFPEURKGZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S.Li/c1-2-3-4-5-6-7-11-14-18-19(16,17)15-12-9-8-10-13-15;/h8-10,12-13H,2-7,11,14H2,1H3;.
What are the key properties of CID 162312905?
CID 162312905 has a molecular weight of 291.36 g/mol, XLogP of 3.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162312905 is sourced from PubChem (CID 162312905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).