1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane

C20H38F4O3Si — CID 174593885

IUPAC1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane
SMILESCCCCCCC(F)(C1C(C)CC[Si](OC)(OC)C1(CCC)OC)C(F)(F)F
InChIInChI=1S/C20H38F4O3Si/c1-7-9-10-11-14-18(21,20(22,23)24)17-16(3)12-15-28(26-5,27-6)19(17,25-4)13-8-2/h16-17H,7-15H2,1-6H3
InChIKeyCCJVZTYTGWGNGJ-UHFFFAOYSA-N
MW430.60 g/mol
LogP6.34
Rot. Bonds11

About 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane

1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane (PubChem CID 174593885) has the molecular formula C20H38F4O3Si and a molecular weight of 430.60 g/mol. Its IUPAC name is 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane
PubChem CID174593885
Molecular FormulaC20H38F4O3Si
Molecular Weight430.60 g/mol
Exact Mass430.25
IUPAC Name1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane
SMILESCCCCCCC(F)(C1C(C)CC[Si](OC)(OC)C1(CCC)OC)C(F)(F)F
InChIInChI=1S/C20H38F4O3Si/c1-7-9-10-11-14-18(21,20(22,23)24)17-16(3)12-15-28(26-5,27-6)19(17,25-4)13-8-2/h16-17H,7-15H2,1-6H3
InChIKeyCCJVZTYTGWGNGJ-UHFFFAOYSA-N
XLogP6.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane?
The IUPAC name of 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane (CID 174593885) is 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane.
What is the SMILES notation for 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane?
The canonical SMILES for 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane is CCCCCCC(F)(C1C(C)CC[Si](OC)(OC)C1(CCC)OC)C(F)(F)F.
What is the InChIKey of 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane?
The InChIKey is CCJVZTYTGWGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F4O3Si/c1-7-9-10-11-14-18(21,20(22,23)24)17-16(3)12-15-28(26-5,27-6)19(17,25-4)13-8-2/h16-17H,7-15H2,1-6H3.
What are the key properties of 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane?
1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane has a molecular weight of 430.60 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-4-methyl-2-propyl-3-(1,1,1,2-tetrafluorooctan-2-yl)silinane is sourced from PubChem (CID 174593885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).