trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane

C20H41F3O4Si — CID 87697419

IUPACtrimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCCCCCCCCCCCCCCC(OC(F)C(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(27-20(23)19(21)22)28(24-2,25-3)26-4/h18-20H,5-17H2,1-4H3
InChIKeyFTARTCHJYAUFLX-UHFFFAOYSA-N
MW430.62 g/mol
LogP6.44
Rot. Bonds20

About trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane

trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane (PubChem CID 87697419) has the molecular formula C20H41F3O4Si and a molecular weight of 430.62 g/mol. Its IUPAC name is trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane
PubChem CID87697419
Molecular FormulaC20H41F3O4Si
Molecular Weight430.62 g/mol
Exact Mass430.27
IUPAC Nametrimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCCCCCCCCCCCCCCC(OC(F)C(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(27-20(23)19(21)22)28(24-2,25-3)26-4/h18-20H,5-17H2,1-4H3
InChIKeyFTARTCHJYAUFLX-UHFFFAOYSA-N
XLogP6.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The IUPAC name of trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane (CID 87697419) is trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane.
What is the SMILES notation for trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The canonical SMILES for trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane is CCCCCCCCCCCCCCC(OC(F)C(F)F)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The InChIKey is FTARTCHJYAUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F3O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(27-20(23)19(21)22)28(24-2,25-3)26-4/h18-20H,5-17H2,1-4H3.
What are the key properties of trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane?
trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane has a molecular weight of 430.62 g/mol, XLogP of 6.44, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane is sourced from PubChem (CID 87697419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).