dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane

C23H47F3OSSi — CID 170689056

IUPACdimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCCSCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H47F3OSSi/c1-22(2)27-17-15-19-28-18-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3
InChIKeyNCLZEZDECPDFST-UHFFFAOYSA-N
MW456.78 g/mol
LogP9.10
Rot. Bonds20

About dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 170689056) has the molecular formula C23H47F3OSSi and a molecular weight of 456.78 g/mol. Its IUPAC name is dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
PubChem CID170689056
Molecular FormulaC23H47F3OSSi
Molecular Weight456.78 g/mol
Exact Mass456.31
IUPAC Namedimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCCSCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H47F3OSSi/c1-22(2)27-17-15-19-28-18-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3
InChIKeyNCLZEZDECPDFST-UHFFFAOYSA-N
XLogP9.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dimethyl-[12-(3-propan-2-yloxypropoxy)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170688896
1,1,1-trifluoro-17-(2-propan-2-yloxyethylsulfanyl)heptadecane
CID 170688924
dimethyl-(2,3,4,5,6-pentafluorophenyl)-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
CID 170688805
dimethyl-bis(3,3,3-trifluoropropyl)silane
CID 139788750
3-propan-2-yloxypropyl thiohypofluorite
CID 146245926
1,1,1,2,2-pentadeuterio-16-(3-propan-2-yloxypropylsulfanyl)hexadecane
CID 170689103
dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
CID 170688887
cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
CID 170688763
dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
CID 170688984
trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane
CID 170689051
1,6-di(propan-2-yloxy)hexane
CID 10899702

Frequently Asked Questions

What is the IUPAC name of dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane (CID 170689056) is dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane is CC(C)OCCCSCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is NCLZEZDECPDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47F3OSSi/c1-22(2)27-17-15-19-28-18-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3.
What are the key properties of dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 456.78 g/mol, XLogP of 9.10, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 170689056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).