CID 87890196

C9H19AlO4S2 — CID 87890196

IUPAC—
SMILESCCCCC([C@H](C[Al])S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C9H19O4S2.Al/c1-5-6-7-9(15(4,12)13)8(2)14(3,10)11;/h8-9H,2,5-7H2,1,3-4H3;/t8-,9?;/m0./s1
InChIKeyRUEVFVAPSOBEFO-GUORDYTPSA-N
MW282.36 g/mol
LogP0.59
Rot. Bonds7

About CID 87890196

CID 87890196 (PubChem CID 87890196) has the molecular formula C9H19AlO4S2 and a molecular weight of 282.36 g/mol.

Molecular Properties

Compound NameCID 87890196
PubChem CID87890196
Molecular FormulaC9H19AlO4S2
Molecular Weight282.36 g/mol
Exact Mass282.05
IUPAC Name—
SMILESCCCCC([C@H](C[Al])S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C9H19O4S2.Al/c1-5-6-7-9(15(4,12)13)8(2)14(3,10)11;/h8-9H,2,5-7H2,1,3-4H3;/t8-,9?;/m0./s1
InChIKeyRUEVFVAPSOBEFO-GUORDYTPSA-N
XLogP0.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfinyl-1-methylsulfonyltridecane
CID 134878680
2-methylsulfonyloctane
CID 121274607
heptane;methylsulfonylmethane
CID 176706405
methanesulfonate;tributyl(octyl)phosphanium
CID 87573493
methanesulfonate;tributyl(hexadecyl)phosphanium
CID 86070660
nonane-5-sulfonic acid
CID 22325204
heptatriacontan-19-yl methanesulfonate
CID 59202246
nonacosan-11-yl methanesulfonate
CID 162497235
hexane-2-sulfonyl iodide
CID 87941836
3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
CID 141263749
1-hydroxypentane-1-sulfonic acid
CID 3016389
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263

Frequently Asked Questions

What is the IUPAC name of CID 87890196?
The IUPAC name of CID 87890196 (CID 87890196) is not available.
What is the SMILES notation for CID 87890196?
The canonical SMILES for CID 87890196 is CCCCC([C@H](C[Al])S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of CID 87890196?
The InChIKey is RUEVFVAPSOBEFO-GUORDYTPSA-N. The full InChI is InChI=1S/C9H19O4S2.Al/c1-5-6-7-9(15(4,12)13)8(2)14(3,10)11;/h8-9H,2,5-7H2,1,3-4H3;/t8-,9?;/m0./s1.
What are the key properties of CID 87890196?
CID 87890196 has a molecular weight of 282.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87890196 is sourced from PubChem (CID 87890196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).