1-fluorotridecane;triethoxy(octyl)silane

C27H59FO3Si — CID 175426925

IUPAC1-fluorotridecane;triethoxy(octyl)silane
SMILESCCCCCCCCCCCCCF.CCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H32O3Si.C13H27F/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-14H2,1-4H3;2-13H2,1H3
InChIKeyHWGXUVXUZKOLTE-UHFFFAOYSA-N
MW478.85 g/mol
LogP9.66
Rot. Bonds24

About 1-fluorotridecane;triethoxy(octyl)silane

1-fluorotridecane;triethoxy(octyl)silane (PubChem CID 175426925) has the molecular formula C27H59FO3Si and a molecular weight of 478.85 g/mol. Its IUPAC name is 1-fluorotridecane;triethoxy(octyl)silane.

Molecular Properties

Compound Name1-fluorotridecane;triethoxy(octyl)silane
PubChem CID175426925
Molecular FormulaC27H59FO3Si
Molecular Weight478.85 g/mol
Exact Mass478.42
IUPAC Name1-fluorotridecane;triethoxy(octyl)silane
SMILESCCCCCCCCCCCCCF.CCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H32O3Si.C13H27F/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-14H2,1-4H3;2-13H2,1H3
InChIKeyHWGXUVXUZKOLTE-UHFFFAOYSA-N
XLogP9.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 59.66
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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Related Compounds

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(8-fluorohenicosyl)silane
CID 87070985
dodecyl-diethoxy-methoxysilane
CID 141483107
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559

Frequently Asked Questions

What is the IUPAC name of 1-fluorotridecane;triethoxy(octyl)silane?
The IUPAC name of 1-fluorotridecane;triethoxy(octyl)silane (CID 175426925) is 1-fluorotridecane;triethoxy(octyl)silane.
What is the SMILES notation for 1-fluorotridecane;triethoxy(octyl)silane?
The canonical SMILES for 1-fluorotridecane;triethoxy(octyl)silane is CCCCCCCCCCCCCF.CCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-fluorotridecane;triethoxy(octyl)silane?
The InChIKey is HWGXUVXUZKOLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si.C13H27F/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-14H2,1-4H3;2-13H2,1H3.
What are the key properties of 1-fluorotridecane;triethoxy(octyl)silane?
1-fluorotridecane;triethoxy(octyl)silane has a molecular weight of 478.85 g/mol, XLogP of 9.66, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorotridecane;triethoxy(octyl)silane is sourced from PubChem (CID 175426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).