dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane

C16H23F5O4SSi — CID 90224564

IUPACdimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
SMILESCO[Si](C)(CCc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC
InChIInChI=1S/C16H23F5O4SSi/c1-24-27(3,25-2)9-8-13-4-6-14(7-5-13)10-26(22,23)12-15(17,18)11-16(19,20)21/h4-7H,8-12H2,1-3H3
InChIKeyBDGODCUYZXQVQN-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.10
Rot. Bonds10

About dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane

dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane (PubChem CID 90224564) has the molecular formula C16H23F5O4SSi and a molecular weight of 434.50 g/mol. Its IUPAC name is dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
PubChem CID90224564
Molecular FormulaC16H23F5O4SSi
Molecular Weight434.50 g/mol
Exact Mass434.10
IUPAC Namedimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
SMILESCO[Si](C)(CCc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC
InChIInChI=1S/C16H23F5O4SSi/c1-24-27(3,25-2)9-8-13-4-6-14(7-5-13)10-26(22,23)12-15(17,18)11-16(19,20)21/h4-7H,8-12H2,1-3H3
InChIKeyBDGODCUYZXQVQN-UHFFFAOYSA-N
XLogP4.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane?
The IUPAC name of dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane (CID 90224564) is dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane.
What is the SMILES notation for dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane?
The canonical SMILES for dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane is CO[Si](C)(CCc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC.
What is the InChIKey of dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane?
The InChIKey is BDGODCUYZXQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5O4SSi/c1-24-27(3,25-2)9-8-13-4-6-14(7-5-13)10-26(22,23)12-15(17,18)11-16(19,20)21/h4-7H,8-12H2,1-3H3.
What are the key properties of dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane?
dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane has a molecular weight of 434.50 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane is sourced from PubChem (CID 90224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).