2-methylnonan-2-ylsilyl propane-1-sulfonate

C13H30O3SSi — CID 173057671

IUPAC2-methylnonan-2-ylsilyl propane-1-sulfonate
SMILESCCCCCCCC(C)(C)[SiH2]OS(=O)(=O)CCC
InChIInChI=1S/C13H30O3SSi/c1-5-7-8-9-10-11-13(3,4)18-16-17(14,15)12-6-2/h5-12,18H2,1-4H3
InChIKeyVDCUIDXXJBLFBP-UHFFFAOYSA-N
MW294.53 g/mol
LogP3.39
Rot. Bonds11

About 2-methylnonan-2-ylsilyl propane-1-sulfonate

2-methylnonan-2-ylsilyl propane-1-sulfonate (PubChem CID 173057671) has the molecular formula C13H30O3SSi and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-methylnonan-2-ylsilyl propane-1-sulfonate.

Molecular Properties

Compound Name2-methylnonan-2-ylsilyl propane-1-sulfonate
PubChem CID173057671
Molecular FormulaC13H30O3SSi
Molecular Weight294.53 g/mol
Exact Mass294.17
IUPAC Name2-methylnonan-2-ylsilyl propane-1-sulfonate
SMILESCCCCCCCC(C)(C)[SiH2]OS(=O)(=O)CCC
InChIInChI=1S/C13H30O3SSi/c1-5-7-8-9-10-11-13(3,4)18-16-17(14,15)12-6-2/h5-12,18H2,1-4H3
InChIKeyVDCUIDXXJBLFBP-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutan-2-ylsilyl propane-1-sulfonate
CID 173057660
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
2-methylpentan-2-ylsilyl methanesulfonate
CID 174845745
octyl propane-1-sulfonate
CID 19702367
chloro(2-methylicosan-2-yl)silane
CID 173060417
2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
CID 25021309
azane;methyl 9-octylheptadecane-9-sulfonate
CID 87488633
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
3-methyl-1-methylsulfonyloctan-3-ol
CID 80557919
3-methyl-3-(3-methylicosan-3-ylsulfonyl)icosane
CID 169224285
CID 175985360
CID 175985360
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of 2-methylnonan-2-ylsilyl propane-1-sulfonate?
The IUPAC name of 2-methylnonan-2-ylsilyl propane-1-sulfonate (CID 173057671) is 2-methylnonan-2-ylsilyl propane-1-sulfonate.
What is the SMILES notation for 2-methylnonan-2-ylsilyl propane-1-sulfonate?
The canonical SMILES for 2-methylnonan-2-ylsilyl propane-1-sulfonate is CCCCCCCC(C)(C)[SiH2]OS(=O)(=O)CCC.
What is the InChIKey of 2-methylnonan-2-ylsilyl propane-1-sulfonate?
The InChIKey is VDCUIDXXJBLFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3SSi/c1-5-7-8-9-10-11-13(3,4)18-16-17(14,15)12-6-2/h5-12,18H2,1-4H3.
What are the key properties of 2-methylnonan-2-ylsilyl propane-1-sulfonate?
2-methylnonan-2-ylsilyl propane-1-sulfonate has a molecular weight of 294.53 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonan-2-ylsilyl propane-1-sulfonate is sourced from PubChem (CID 173057671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).