(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane

C24H46F2OSi — CID 170689021

IUPAC(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCCC#C[Si](C)(C)C
InChIInChI=1S/C24H46F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-16,18-21H2,1-5H3
InChIKeyNGJBFJILALLBBF-UHFFFAOYSA-N
MW416.71 g/mol
LogP8.39
Rot. Bonds17

About (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane

(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane (PubChem CID 170689021) has the molecular formula C24H46F2OSi and a molecular weight of 416.71 g/mol. Its IUPAC name is (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
PubChem CID170689021
Molecular FormulaC24H46F2OSi
Molecular Weight416.71 g/mol
Exact Mass416.33
IUPAC Name(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCCC#C[Si](C)(C)C
InChIInChI=1S/C24H46F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-16,18-21H2,1-5H3
InChIKeyNGJBFJILALLBBF-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,3-Difluoro-6-undecan-5-yloxycyclooctyne
CID 117881089
(15,15-Difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane
CID 170688850
17,17-Difluoro-20-propan-2-yloxyicos-1-yne
CID 170688854
Dimethyl-[12-(3-propan-2-yloxypropoxy)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170688896
(13,13-Difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane
CID 170688900
Dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
Dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane
CID 170689043
Dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170689083
1,1,1,17,17-Pentafluoro-20-propan-2-yloxyicos-2-yne
CID 170689196
Dimethyl-(12-propoxydodecyl)-(3,3,3-trifluoropropyl)silane
CID 173922216
Dimethyl-(12-propoxydodec-1-ynyl)-(3,3,3-trifluoropropyl)silane
CID 173922218
13-Ethoxytridec-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
CID 173922223

Frequently Asked Questions

What is the IUPAC name of (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane?
The IUPAC name of (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane (CID 170689021) is (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane.
What is the SMILES notation for (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane?
The canonical SMILES for (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane is CC(C)OCCCC(F)(F)CCCCCCCCCCCCC#C[Si](C)(C)C.
What is the InChIKey of (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane?
The InChIKey is NGJBFJILALLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-16,18-21H2,1-5H3.
What are the key properties of (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane?
(15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane has a molecular weight of 416.71 g/mol, XLogP of 8.39, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15,15-difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane is sourced from PubChem (CID 170689021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).