cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane

C25H52OSSi — CID 170688763

IUPACcyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
SMILESCC(C)OCCSCCCCCCCCCCCC[Si](C)(C)C1CCCCC1
InChIInChI=1S/C25H52OSSi/c1-24(2)26-20-22-27-21-16-11-9-7-5-6-8-10-12-17-23-28(3,4)25-18-14-13-15-19-25/h24-25H,5-23H2,1-4H3
InChIKeyYJYOXOAJYMTISL-UHFFFAOYSA-N
MW428.84 g/mol
LogP9.09
Rot. Bonds18

About cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane

cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane (PubChem CID 170688763) has the molecular formula C25H52OSSi and a molecular weight of 428.84 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
PubChem CID170688763
Molecular FormulaC25H52OSSi
Molecular Weight428.84 g/mol
Exact Mass428.35
IUPAC Namecyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
SMILESCC(C)OCCSCCCCCCCCCCCC[Si](C)(C)C1CCCCC1
InChIInChI=1S/C25H52OSSi/c1-24(2)26-20-22-27-21-16-11-9-7-5-6-8-10-12-17-23-28(3,4)25-18-14-13-15-19-25/h24-25H,5-23H2,1-4H3
InChIKeyYJYOXOAJYMTISL-UHFFFAOYSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 59.09
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

12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
CID 170688887
dimethyl-(2,3,4,5,6-pentafluorophenyl)-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
CID 170688805
14-(2-propan-2-yloxyethylsulfanyl)tetradec-1-ynylcyclobutane
CID 170689213
2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
CID 155415621
1,1,1-trifluoro-17-(2-propan-2-yloxyethylsulfanyl)heptadecane
CID 170688924
dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170689056
cyclohexyl-dimethyl-(2-methylpropyl)silane
CID 150319194
2-propan-2-yloxyethylcycloheptane
CID 123201160
1,1,1,2,2-pentadeuterio-16-(3-propan-2-yloxypropylsulfanyl)hexadecane
CID 170689103
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
1-methyl-1-[13-(3-propan-2-yloxypropylsulfanyl)tridec-1-ynyl]siletane
CID 170689215
dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
CID 170688984

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane?
The IUPAC name of cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane (CID 170688763) is cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane.
What is the SMILES notation for cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane?
The canonical SMILES for cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane is CC(C)OCCSCCCCCCCCCCCC[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane?
The InChIKey is YJYOXOAJYMTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52OSSi/c1-24(2)26-20-22-27-21-16-11-9-7-5-6-8-10-12-17-23-28(3,4)25-18-14-13-15-19-25/h24-25H,5-23H2,1-4H3.
What are the key properties of cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane?
cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane has a molecular weight of 428.84 g/mol, XLogP of 9.09, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane is sourced from PubChem (CID 170688763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).