2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane

C12H27F3OSi3 — CID 67069031

IUPAC2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane
SMILESCC1(CCC(F)(F)F)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C12H27F3OSi3/c1-11(8-9-12(13,14)15)10-17(2,3)19(6,7)18(4,5)16-11/h8-10H2,1-7H3
InChIKeyOTSHWOYAYGHXTA-UHFFFAOYSA-N
MW328.60 g/mol
LogP4.90
Rot. Bonds2

About 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane

2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane (PubChem CID 67069031) has the molecular formula C12H27F3OSi3 and a molecular weight of 328.60 g/mol. Its IUPAC name is 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane.

Molecular Properties

Compound Name2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane
PubChem CID67069031
Molecular FormulaC12H27F3OSi3
Molecular Weight328.60 g/mol
Exact Mass328.13
IUPAC Name2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane
SMILESCC1(CCC(F)(F)F)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C12H27F3OSi3/c1-11(8-9-12(13,14)15)10-17(2,3)19(6,7)18(4,5)16-11/h8-10H2,1-7H3
InChIKeyOTSHWOYAYGHXTA-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane?
The IUPAC name of 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane (CID 67069031) is 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane.
What is the SMILES notation for 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane?
The canonical SMILES for 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane is CC1(CCC(F)(F)F)C[Si](C)(C)[Si](C)(C)[Si](C)(C)O1.
What is the InChIKey of 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane?
The InChIKey is OTSHWOYAYGHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27F3OSi3/c1-11(8-9-12(13,14)15)10-17(2,3)19(6,7)18(4,5)16-11/h8-10H2,1-7H3.
What are the key properties of 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane?
2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane has a molecular weight of 328.60 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,6-heptamethyl-6-(3,3,3-trifluoropropyl)oxatrisilinane is sourced from PubChem (CID 67069031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).