CID 87182380

C12H26AlO4S — CID 87182380

IUPAC—
SMILESCCCCCCCCCCCCOS(=O)(=O)O.[Al]
InChIInChI=1S/C12H26O4S.Al/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);
InChIKeyJSZMAHSQJHVJKT-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.35
Rot. Bonds12

About CID 87182380

CID 87182380 (PubChem CID 87182380) has the molecular formula C12H26AlO4S and a molecular weight of 293.38 g/mol.

Molecular Properties

Compound NameCID 87182380
PubChem CID87182380
Molecular FormulaC12H26AlO4S
Molecular Weight293.38 g/mol
Exact Mass293.14
IUPAC Name—
SMILESCCCCCCCCCCCCOS(=O)(=O)O.[Al]
InChIInChI=1S/C12H26O4S.Al/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);
InChIKeyJSZMAHSQJHVJKT-UHFFFAOYSA-N
XLogP3.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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CID 170845374
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sodium;dodecyl hydrogen sulfate;hydride
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butyl hydrogen sulfate;heptane
CID 175360663
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846
potassium;dodecyl hydrogen sulfate;propane
CID 175112057
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743

Frequently Asked Questions

What is the IUPAC name of CID 87182380?
The IUPAC name of CID 87182380 (CID 87182380) is not available.
What is the SMILES notation for CID 87182380?
The canonical SMILES for CID 87182380 is CCCCCCCCCCCCOS(=O)(=O)O.[Al].
What is the InChIKey of CID 87182380?
The InChIKey is JSZMAHSQJHVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S.Al/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);.
What are the key properties of CID 87182380?
CID 87182380 has a molecular weight of 293.38 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87182380 is sourced from PubChem (CID 87182380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).