2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate

C30H64O6S2Si — CID 162475704

IUPAC2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCOS(C)(=O)=O)CCOS(C)(=O)=O
InChIInChI=1S/C30H64O6S2Si/c1-5-7-9-11-13-15-17-19-21-23-27-39(29-25-35-37(3,31)32,30-26-36-38(4,33)34)28-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3
InChIKeySAYVMIFVYNGDOF-UHFFFAOYSA-N
MW613.06 g/mol
LogP9.23
Rot. Bonds30

About 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate

2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate (PubChem CID 162475704) has the molecular formula C30H64O6S2Si and a molecular weight of 613.06 g/mol. Its IUPAC name is 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
PubChem CID162475704
Molecular FormulaC30H64O6S2Si
Molecular Weight613.06 g/mol
Exact Mass612.39
IUPAC Name2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCOS(C)(=O)=O)CCOS(C)(=O)=O
InChIInChI=1S/C30H64O6S2Si/c1-5-7-9-11-13-15-17-19-21-23-27-39(29-25-35-37(3,31)32,30-26-36-38(4,33)34)28-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3
InChIKeySAYVMIFVYNGDOF-UHFFFAOYSA-N
XLogP9.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.06
LogP ≤ 59.23
H-Bond Donors ≤ 50
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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methane;pentyl methanesulfonate
CID 158804088
azane;N,N-dimethylmethanamine;octadecyl methanesulfonate
CID 174627286
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
butyl-dihexyl-octylsilane
CID 168803297
3-heptylhexadecyl methanesulfonate
CID 20578420
icos-11-enyl methanesulfonate
CID 123465441
[(Z)-icos-11-enyl] methanesulfonate
CID 86699632
[(7R)-7-methyloctadecyl] methanesulfonate
CID 129382798
2-dodecylsulfinylethyl methanesulfonate
CID 121405291
3-trihydroxysilylpropyl methanesulfonate
CID 164997889
dec-4-enyl methanesulfonate
CID 123139134
heptane;methylsulfonylmethane
CID 176706405

Frequently Asked Questions

What is the IUPAC name of 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The IUPAC name of 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate (CID 162475704) is 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate.
What is the SMILES notation for 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The canonical SMILES for 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate is CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCOS(C)(=O)=O)CCOS(C)(=O)=O.
What is the InChIKey of 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The InChIKey is SAYVMIFVYNGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O6S2Si/c1-5-7-9-11-13-15-17-19-21-23-27-39(29-25-35-37(3,31)32,30-26-36-38(4,33)34)28-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3.
What are the key properties of 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate has a molecular weight of 613.06 g/mol, XLogP of 9.23, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate is sourced from PubChem (CID 162475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).