2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate

C14H24O7S2Si — CID 102131047

IUPAC2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
SMILESCOc1ccc([Si](C)(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1
InChIInChI=1S/C14H24O7S2Si/c1-19-13-5-7-14(8-6-13)24(4,11-9-20-22(2,15)16)12-10-21-23(3,17)18/h5-8H,9-12H2,1-4H3
InChIKeyDQNWTFBKOVWZPV-UHFFFAOYSA-N
MW396.56 g/mol
LogP0.93
Rot. Bonds10

About 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate

2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate (PubChem CID 102131047) has the molecular formula C14H24O7S2Si and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
PubChem CID102131047
Molecular FormulaC14H24O7S2Si
Molecular Weight396.56 g/mol
Exact Mass396.07
IUPAC Name2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
SMILESCOc1ccc([Si](C)(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1
InChIInChI=1S/C14H24O7S2Si/c1-19-13-5-7-14(8-6-13)24(4,11-9-20-22(2,15)16)12-10-21-23(3,17)18/h5-8H,9-12H2,1-4H3
InChIKeyDQNWTFBKOVWZPV-UHFFFAOYSA-N
XLogP0.93
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
CID 86656093
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 22507101
2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
4-[2-(4-methoxyphenyl)-2-oxoethoxy]butyl methanesulfonate
CID 102236855
2-(3,4-dichlorophenoxy)ethyl methanesulfonate
CID 150853890
[(3S)-3-[2-(4-methoxyphenoxy)ethylsulfonyl]-4-methylsulfonyloxybutyl] methanesulfonate
CID 98531443
(2-chloro-6-methoxyquinolin-3-yl)methyl methanesulfonate
CID 46838693
2-[(4-methoxyphenyl)-dimethylsilyl]ethanol
CID 11052925
[(2R)-2,3-bis(4-methoxyphenyl)propyl] methanesulfonate
CID 129384796
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
2-[3-(4-methoxyphenyl)pyrrolidin-3-yl]ethyl methanesulfonate
CID 139816587
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 88938145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The IUPAC name of 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate (CID 102131047) is 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate.
What is the SMILES notation for 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The canonical SMILES for 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate is COc1ccc([Si](C)(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
The InChIKey is DQNWTFBKOVWZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O7S2Si/c1-19-13-5-7-14(8-6-13)24(4,11-9-20-22(2,15)16)12-10-21-23(3,17)18/h5-8H,9-12H2,1-4H3.
What are the key properties of 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate?
2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate has a molecular weight of 396.56 g/mol, XLogP of 0.93, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-methyl-(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate is sourced from PubChem (CID 102131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).