trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane

C24H47F3O4Si — CID 87881208

IUPACtrimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
SMILESCO[Si](CCC1OC1CCCCCCC(F)CCCCCCCCCC(F)F)(OC)OC
InChIInChI=1S/C24H47F3O4Si/c1-28-32(29-2,30-3)20-19-23-22(31-23)17-13-10-9-12-16-21(25)15-11-7-5-4-6-8-14-18-24(26)27/h21-24H,4-20H2,1-3H3
InChIKeyXHTPKMUQQDUSKR-UHFFFAOYSA-N
MW484.72 g/mol
LogP7.48
Rot. Bonds23

About trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane

trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane (PubChem CID 87881208) has the molecular formula C24H47F3O4Si and a molecular weight of 484.72 g/mol. Its IUPAC name is trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
PubChem CID87881208
Molecular FormulaC24H47F3O4Si
Molecular Weight484.72 g/mol
Exact Mass484.32
IUPAC Nametrimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
SMILESCO[Si](CCC1OC1CCCCCCC(F)CCCCCCCCCC(F)F)(OC)OC
InChIInChI=1S/C24H47F3O4Si/c1-28-32(29-2,30-3)20-19-23-22(31-23)17-13-10-9-12-16-21(25)15-11-7-5-4-6-8-14-18-24(26)27/h21-24H,4-20H2,1-3H3
InChIKeyXHTPKMUQQDUSKR-UHFFFAOYSA-N
XLogP7.48
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 57.48
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane?
The IUPAC name of trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane (CID 87881208) is trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane.
What is the SMILES notation for trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane?
The canonical SMILES for trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane is CO[Si](CCC1OC1CCCCCCC(F)CCCCCCCCCC(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane?
The InChIKey is XHTPKMUQQDUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47F3O4Si/c1-28-32(29-2,30-3)20-19-23-22(31-23)17-13-10-9-12-16-21(25)15-11-7-5-4-6-8-14-18-24(26)27/h21-24H,4-20H2,1-3H3.
What are the key properties of trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane?
trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane has a molecular weight of 484.72 g/mol, XLogP of 7.48, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane is sourced from PubChem (CID 87881208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).