alumane;octadecyl hydrogen sulfate

C18H41AlO4S — CID 175420064

IUPACalumane;octadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[AlH3]
InChIInChI=1S/C18H38O4S.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;;;/h2-18H2,1H3,(H,19,20,21);;;;
InChIKeySRGLHHJLCBMLCH-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.88
Rot. Bonds18

About alumane;octadecyl hydrogen sulfate

alumane;octadecyl hydrogen sulfate (PubChem CID 175420064) has the molecular formula C18H41AlO4S and a molecular weight of 380.57 g/mol. Its IUPAC name is alumane;octadecyl hydrogen sulfate.

Molecular Properties

Compound Namealumane;octadecyl hydrogen sulfate
PubChem CID175420064
Molecular FormulaC18H41AlO4S
Molecular Weight380.57 g/mol
Exact Mass380.25
IUPAC Namealumane;octadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[AlH3]
InChIInChI=1S/C18H38O4S.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;;;/h2-18H2,1H3,(H,19,20,21);;;;
InChIKeySRGLHHJLCBMLCH-UHFFFAOYSA-N
XLogP4.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.88
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

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
magnesium icosyl hydrogen sulfate
CID 21125099
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
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 alumane;octadecyl hydrogen sulfate?
The IUPAC name of alumane;octadecyl hydrogen sulfate (CID 175420064) is alumane;octadecyl hydrogen sulfate.
What is the SMILES notation for alumane;octadecyl hydrogen sulfate?
The canonical SMILES for alumane;octadecyl hydrogen sulfate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[AlH3].
What is the InChIKey of alumane;octadecyl hydrogen sulfate?
The InChIKey is SRGLHHJLCBMLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;;;/h2-18H2,1H3,(H,19,20,21);;;;.
What are the key properties of alumane;octadecyl hydrogen sulfate?
alumane;octadecyl hydrogen sulfate has a molecular weight of 380.57 g/mol, XLogP of 4.88, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;octadecyl hydrogen sulfate is sourced from PubChem (CID 175420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).