dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane

C23H47F3O2Si — CID 170689043

IUPACdimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCOCCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H47F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3
InChIKeyMSOWQILPNJPFRB-UHFFFAOYSA-N
MW440.71 g/mol
LogP8.38
Rot. Bonds20

About dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 170689043) has the molecular formula C23H47F3O2Si and a molecular weight of 440.71 g/mol. Its IUPAC name is dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane
PubChem CID170689043
Molecular FormulaC23H47F3O2Si
Molecular Weight440.71 g/mol
Exact Mass440.33
IUPAC Namedimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCOCCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H47F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3
InChIKeyMSOWQILPNJPFRB-UHFFFAOYSA-N
XLogP8.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 58.38
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-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane
CID 57210663
3-[5,5-Difluoro-1-(3,3,5,5,7,7-hexafluorooctoxy)heptan-2-yl]oxypropyl-trimethoxysilane
CID 89088104
3-[5,5-Difluoro-1-(3,3,5,5-tetrafluorohexoxy)heptan-2-yl]oxypropyl-trimethoxysilane
CID 89088106
Trimethoxy-[11-(2,2,3,3,3-pentafluoropropoxy)-7-trimethylsilyl-8-trimethylsilyloxyundecyl]silane
CID 89712677
Triethoxy-[8-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-4-trimethylsilyl-5-trimethylsilyloxyoctyl]silane
CID 89712685
18-(2-Butoxybutoxy)-1,1,1-trifluorooctadecane
CID 126585862
18-(2-Butoxybutoxy)-1,1,1,2,2-pentafluorooctadecane
CID 126585866
16-(2-Butoxybutoxy)-1,1,1,2,2-pentafluorohexadecane
CID 126586642
16-(2-Butoxybutoxy)-1,1,1-trifluorohexadecane
CID 126586664
18-(2-Butoxypentoxy)-1,1,1-trifluorooctadecane
CID 130400525
C3F7OCHFCF2O(CH2)11Si(OEt)3
CID 131749091
1,2-Bis(1,1,2,2-tetrafluorobutoxy)dodecane
CID 153691942

Frequently Asked Questions

What is the IUPAC name of dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane (CID 170689043) is dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane is CC(C)OCCOCCCCCCCCCCCCC[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is MSOWQILPNJPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-21H2,1-4H3.
What are the key properties of dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 440.71 g/mol, XLogP of 8.38, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 170689043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).