methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane

C16H24F12O4Si — CID 21365452

IUPACmethyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane
SMILESCCC[Si](C)(OCCC(OC)(C(F)(F)F)C(F)(F)F)OCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F12O4Si/c1-5-10-33(4,31-8-6-11(29-2,13(17,18)19)14(20,21)22)32-9-7-12(30-3,15(23,24)25)16(26,27)28/h5-10H2,1-4H3
InChIKeyLZXWONMAZBZNAY-UHFFFAOYSA-N
MW536.43 g/mol
LogP6.30
Rot. Bonds12

About methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane

methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane (PubChem CID 21365452) has the molecular formula C16H24F12O4Si and a molecular weight of 536.43 g/mol. Its IUPAC name is methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane.

Molecular Properties

Compound Namemethyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane
PubChem CID21365452
Molecular FormulaC16H24F12O4Si
Molecular Weight536.43 g/mol
Exact Mass536.13
IUPAC Namemethyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane
SMILESCCC[Si](C)(OCCC(OC)(C(F)(F)F)C(F)(F)F)OCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F12O4Si/c1-5-10-33(4,31-8-6-11(29-2,13(17,18)19)14(20,21)22)32-9-7-12(30-3,15(23,24)25)16(26,27)28/h5-10H2,1-4H3
InChIKeyLZXWONMAZBZNAY-UHFFFAOYSA-N
XLogP6.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane?
The IUPAC name of methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane (CID 21365452) is methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane.
What is the SMILES notation for methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane?
The canonical SMILES for methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane is CCC[Si](C)(OCCC(OC)(C(F)(F)F)C(F)(F)F)OCCC(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane?
The InChIKey is LZXWONMAZBZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F12O4Si/c1-5-10-33(4,31-8-6-11(29-2,13(17,18)19)14(20,21)22)32-9-7-12(30-3,15(23,24)25)16(26,27)28/h5-10H2,1-4H3.
What are the key properties of methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane?
methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane has a molecular weight of 536.43 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-propyl-bis[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butoxy]silane is sourced from PubChem (CID 21365452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).