1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane

C14H25F3O3Si — CID 174865498

IUPAC1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane
SMILESCCCC1(OC)C(C(F)C=C(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C14H25F3O3Si/c1-5-8-14(18-2)11(12(15)10-13(16)17)7-6-9-21(14,19-3)20-4/h10-12H,5-9H2,1-4H3
InChIKeyLXWYUPFOQQDLBI-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.97
Rot. Bonds7

About 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane

1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane (PubChem CID 174865498) has the molecular formula C14H25F3O3Si and a molecular weight of 326.43 g/mol. Its IUPAC name is 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane
PubChem CID174865498
Molecular FormulaC14H25F3O3Si
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane
SMILESCCCC1(OC)C(C(F)C=C(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C14H25F3O3Si/c1-5-8-14(18-2)11(12(15)10-13(16)17)7-6-9-21(14,19-3)20-4/h10-12H,5-9H2,1-4H3
InChIKeyLXWYUPFOQQDLBI-UHFFFAOYSA-N
XLogP3.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane?
The IUPAC name of 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane (CID 174865498) is 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane.
What is the SMILES notation for 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane?
The canonical SMILES for 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane is CCCC1(OC)C(C(F)C=C(F)F)CCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane?
The InChIKey is LXWYUPFOQQDLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O3Si/c1-5-8-14(18-2)11(12(15)10-13(16)17)7-6-9-21(14,19-3)20-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane?
1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane has a molecular weight of 326.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-2-propyl-3-(1,3,3-trifluoroprop-2-enyl)silinane is sourced from PubChem (CID 174865498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).