5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid

C8H20O8S2Si — CID 150446105

IUPAC5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid
SMILESCOC(OC)[SiH2]CCCC(CS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C8H20O8S2Si/c1-15-8(16-2)19-5-3-4-7(18(12,13)14)6-17(9,10)11/h7-8H,3-6,19H2,1-2H3,(H,9,10,11)(H,12,13,14)
InChIKeyHMUHVPUJFXSTIT-UHFFFAOYSA-N
MW336.46 g/mol
LogP-0.93
Rot. Bonds10

About 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid

5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid (PubChem CID 150446105) has the molecular formula C8H20O8S2Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid.

Molecular Properties

Compound Name5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid
PubChem CID150446105
Molecular FormulaC8H20O8S2Si
Molecular Weight336.46 g/mol
Exact Mass336.04
IUPAC Name5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid
SMILESCOC(OC)[SiH2]CCCC(CS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C8H20O8S2Si/c1-15-8(16-2)19-5-3-4-7(18(12,13)14)6-17(9,10)11/h7-8H,3-6,19H2,1-2H3,(H,9,10,11)(H,12,13,14)
InChIKeyHMUHVPUJFXSTIT-UHFFFAOYSA-N
XLogP-0.93
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropane-1,2-disulfonic acid
CID 58983664
2-[3-(dimethoxymethylsilyl)propyl]butanedioic acid
CID 150817687
3-ethoxypropane-1,2-disulfonic acid
CID 58983781
3-(dimethoxymethylsilyl)propyl carbamate
CID 123703912
heptane-1,2-disulfonic acid;1-pentyl-3-propylpyrrolidine
CID 175584072
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777
nonane-5-sulfonic acid
CID 22325204
dodecane-5-sulfonic acid
CID 87491021

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid?
The IUPAC name of 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid (CID 150446105) is 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid.
What is the SMILES notation for 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid?
The canonical SMILES for 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid is COC(OC)[SiH2]CCCC(CS(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid?
The InChIKey is HMUHVPUJFXSTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O8S2Si/c1-15-8(16-2)19-5-3-4-7(18(12,13)14)6-17(9,10)11/h7-8H,3-6,19H2,1-2H3,(H,9,10,11)(H,12,13,14).
What are the key properties of 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid?
5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid has a molecular weight of 336.46 g/mol, XLogP of -0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid is sourced from PubChem (CID 150446105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).