[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane

C11H21F3O4Si — CID 59735078

IUPAC[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane
SMILESCOC1(OC)CCOCC1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O4Si/c1-15-10(16-2)6-7-17-8-9(10,11(12,13)14)18-19(3,4)5/h6-8H2,1-5H3
InChIKeyNKMWVFSQSXBCPY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.55
Rot. Bonds4

About [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane

[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane (PubChem CID 59735078) has the molecular formula C11H21F3O4Si and a molecular weight of 302.37 g/mol. Its IUPAC name is [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane
PubChem CID59735078
Molecular FormulaC11H21F3O4Si
Molecular Weight302.37 g/mol
Exact Mass302.12
IUPAC Name[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane
SMILESCOC1(OC)CCOCC1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O4Si/c1-15-10(16-2)6-7-17-8-9(10,11(12,13)14)18-19(3,4)5/h6-8H2,1-5H3
InChIKeyNKMWVFSQSXBCPY-UHFFFAOYSA-N
XLogP2.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane?
The IUPAC name of [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane (CID 59735078) is [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane is COC1(OC)CCOCC1(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane?
The InChIKey is NKMWVFSQSXBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O4Si/c1-15-10(16-2)6-7-17-8-9(10,11(12,13)14)18-19(3,4)5/h6-8H2,1-5H3.
What are the key properties of [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane?
[4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane has a molecular weight of 302.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethoxy-3-(trifluoromethyl)oxan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 59735078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).