2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane

C14H28F6OSi3 — CID 87257406

IUPAC2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane
SMILESC[Si]1(C)CC(CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C14H28F6OSi3/c1-22(2)11-12(7-9-13(15,16)17,8-10-14(18,19)20)21-23(3,4)24(22,5)6/h7-11H2,1-6H3
InChIKeyFIRLYPZRZUZCEB-UHFFFAOYSA-N
MW410.62 g/mol
LogP6.22
Rot. Bonds4

About 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane

2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane (PubChem CID 87257406) has the molecular formula C14H28F6OSi3 and a molecular weight of 410.62 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane
PubChem CID87257406
Molecular FormulaC14H28F6OSi3
Molecular Weight410.62 g/mol
Exact Mass410.14
IUPAC Name2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane
SMILESC[Si]1(C)CC(CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C14H28F6OSi3/c1-22(2)11-12(7-9-13(15,16)17,8-10-14(18,19)20)21-23(3,4)24(22,5)6/h7-11H2,1-6H3
InChIKeyFIRLYPZRZUZCEB-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.62
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane 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 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane?
The IUPAC name of 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane (CID 87257406) is 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane.
What is the SMILES notation for 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane?
The canonical SMILES for 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane is C[Si]1(C)CC(CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)[Si]1(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane?
The InChIKey is FIRLYPZRZUZCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F6OSi3/c1-22(2)11-12(7-9-13(15,16)17,8-10-14(18,19)20)21-23(3,4)24(22,5)6/h7-11H2,1-6H3.
What are the key properties of 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane?
2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane has a molecular weight of 410.62 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethyl-6,6-bis(3,3,3-trifluoropropyl)oxatrisilinane is sourced from PubChem (CID 87257406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).