3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane

C15H26F6O3Si — CID 174578840

IUPAC3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCC1(F)C(F)(F)C(F)(F)C(F)[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H26F6O3Si/c1-6-8-10-12(17)13(22-3,9-7-2)25(23-4,24-5)11(16)14(18,19)15(12,20)21/h11H,6-10H2,1-5H3
InChIKeyKYDKDPYKHGMROI-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.51
Rot. Bonds8

About 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane

3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174578840) has the molecular formula C15H26F6O3Si and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174578840
Molecular FormulaC15H26F6O3Si
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCC1(F)C(F)(F)C(F)(F)C(F)[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H26F6O3Si/c1-6-8-10-12(17)13(22-3,9-7-2)25(23-4,24-5)11(16)14(18,19)15(12,20)21/h11H,6-10H2,1-5H3
InChIKeyKYDKDPYKHGMROI-UHFFFAOYSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane (CID 174578840) is 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane is CCCCC1(F)C(F)(F)C(F)(F)C(F)[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is KYDKDPYKHGMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F6O3Si/c1-6-8-10-12(17)13(22-3,9-7-2)25(23-4,24-5)11(16)14(18,19)15(12,20)21/h11H,6-10H2,1-5H3.
What are the key properties of 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 396.44 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,4,4,5,5,6-hexafluoro-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174578840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).