dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane

C23H43F3O2Si — CID 170688923

IUPACdimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCCOCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H43F3O2Si/c1-22(2)28-19-15-18-27-17-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-13,15-19,21H2,1-4H3
InChIKeyODPMMQATETXJJK-UHFFFAOYSA-N
MW436.68 g/mol
LogP7.53
Rot. Bonds17

About dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 170688923) has the molecular formula C23H43F3O2Si and a molecular weight of 436.68 g/mol. Its IUPAC name is dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
PubChem CID170688923
Molecular FormulaC23H43F3O2Si
Molecular Weight436.68 g/mol
Exact Mass436.30
IUPAC Namedimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCCOCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H43F3O2Si/c1-22(2)28-19-15-18-27-17-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-13,15-19,21H2,1-4H3
InChIKeyODPMMQATETXJJK-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 57.53
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

dimethyl-[12-(3-propan-2-yloxypropoxy)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170688896
trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
dimethyl-(2-methylpropyl)-[12-(3-propan-2-yloxypropylsulfanyl)dodec-1-ynyl]silane
CID 170688984
1-methyl-1-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]siletane
CID 170688985
dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 22717499
dimethyl-[12-(3-propan-2-yloxypropylsulfanyl)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170689056
1,6-di(propan-2-yloxy)hexane
CID 10899702
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 22717494
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453

Frequently Asked Questions

What is the IUPAC name of dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane (CID 170688923) is dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane is CC(C)OCCCOCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is ODPMMQATETXJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43F3O2Si/c1-22(2)28-19-15-18-27-17-13-11-9-7-5-6-8-10-12-14-20-29(3,4)21-16-23(24,25)26/h22H,5-13,15-19,21H2,1-4H3.
What are the key properties of dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 436.68 g/mol, XLogP of 7.53, 17 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-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 170688923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).