dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane

C24H48OSSi — CID 170688984

IUPACdimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
SMILESCC(C)C[Si](C)(C)C#CCCCCCCCCCCSCCCOC(C)C
InChIInChI=1S/C24H48OSSi/c1-23(2)22-27(5,6)21-16-14-12-10-8-7-9-11-13-15-19-26-20-17-18-25-24(3)4/h23-24H,7-15,17-20,22H2,1-6H3
InChIKeyDMAUISPUUYIKTA-UHFFFAOYSA-N
MW412.80 g/mol
LogP7.95
Rot. Bonds17

About dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane

dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane (PubChem CID 170688984) has the molecular formula C24H48OSSi and a molecular weight of 412.80 g/mol. Its IUPAC name is dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane.

Molecular Properties

Compound Namedimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
PubChem CID170688984
Molecular FormulaC24H48OSSi
Molecular Weight412.80 g/mol
Exact Mass412.32
IUPAC Namedimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
SMILESCC(C)C[Si](C)(C)C#CCCCCCCCCCCSCCCOC(C)C
InChIInChI=1S/C24H48OSSi/c1-23(2)22-27(5,6)21-16-14-12-10-8-7-9-11-13-15-19-26-20-17-18-25-24(3)4/h23-24H,7-15,17-20,22H2,1-6H3
InChIKeyDMAUISPUUYIKTA-UHFFFAOYSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.80
LogP ≤ 57.95
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]phenyl]silane
CID 170689051
1-methyl-1-[13-(3-propan-2-yloxypropylsulfanyl)tridec-1-ynyl]siletane
CID 170689215
trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
1-tert-butyl-4-[10-(3-propan-2-yloxypropylsulfanyl)dec-1-ynyl]benzene
CID 170689118
dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
14-(2-propan-2-yloxyethylsulfanyl)tetradec-1-ynylcyclobutane
CID 170689213
1,1,1,2,2-pentadeuterio-16-(3-propan-2-yloxypropylsulfanyl)hexadecane
CID 170689103
1,6-di(propan-2-yloxy)hexane
CID 10899702
dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170689056
1-[12-(2-propan-2-yloxyethylsulfanyl)dodec-1-ynyl]-4-(trifluoromethyl)benzene
CID 170689262
3-propan-2-yloxypropyl thiohypofluorite
CID 146245926
12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
CID 170688887

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane?
The IUPAC name of dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane (CID 170688984) is dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane.
What is the SMILES notation for dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane?
The canonical SMILES for dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane is CC(C)C[Si](C)(C)C#CCCCCCCCCCCSCCCOC(C)C.
What is the InChIKey of dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane?
The InChIKey is DMAUISPUUYIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48OSSi/c1-23(2)22-27(5,6)21-16-14-12-10-8-7-9-11-13-15-19-26-20-17-18-25-24(3)4/h23-24H,7-15,17-20,22H2,1-6H3.
What are the key properties of dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane?
dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane has a molecular weight of 412.80 g/mol, XLogP of 7.95, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane is sourced from PubChem (CID 170688984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).