triethoxy(8-fluorohenicosyl)silane

C27H57FO3Si — CID 87070985

IUPACtriethoxy(8-fluorohenicosyl)silane
SMILESCCCCCCCCCCCCCC(F)CCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-5-9-10-11-12-13-14-15-16-18-21-24-27(28)25-22-19-17-20-23-26-32(29-6-2,30-7-3)31-8-4/h27H,5-26H2,1-4H3
InChIKeyMWCGZORJJPLGGT-UHFFFAOYSA-N
MW476.83 g/mol
LogP9.41
Rot. Bonds26

About triethoxy(8-fluorohenicosyl)silane

triethoxy(8-fluorohenicosyl)silane (PubChem CID 87070985) has the molecular formula C27H57FO3Si and a molecular weight of 476.83 g/mol. Its IUPAC name is triethoxy(8-fluorohenicosyl)silane.

Molecular Properties

Compound Nametriethoxy(8-fluorohenicosyl)silane
PubChem CID87070985
Molecular FormulaC27H57FO3Si
Molecular Weight476.83 g/mol
Exact Mass476.41
IUPAC Nametriethoxy(8-fluorohenicosyl)silane
SMILESCCCCCCCCCCCCCC(F)CCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-5-9-10-11-12-13-14-15-16-18-21-24-27(28)25-22-19-17-20-23-26-32(29-6-2,30-7-3)31-8-4/h27H,5-26H2,1-4H3
InChIKeyMWCGZORJJPLGGT-UHFFFAOYSA-N
XLogP9.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 59.41
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
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
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
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
1-triethoxysilylnonan-3-amine
CID 174893376

Frequently Asked Questions

What is the IUPAC name of triethoxy(8-fluorohenicosyl)silane?
The IUPAC name of triethoxy(8-fluorohenicosyl)silane (CID 87070985) is triethoxy(8-fluorohenicosyl)silane.
What is the SMILES notation for triethoxy(8-fluorohenicosyl)silane?
The canonical SMILES for triethoxy(8-fluorohenicosyl)silane is CCCCCCCCCCCCCC(F)CCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(8-fluorohenicosyl)silane?
The InChIKey is MWCGZORJJPLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57FO3Si/c1-5-9-10-11-12-13-14-15-16-18-21-24-27(28)25-22-19-17-20-23-26-32(29-6-2,30-7-3)31-8-4/h27H,5-26H2,1-4H3.
What are the key properties of triethoxy(8-fluorohenicosyl)silane?
triethoxy(8-fluorohenicosyl)silane has a molecular weight of 476.83 g/mol, XLogP of 9.41, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(8-fluorohenicosyl)silane is sourced from PubChem (CID 87070985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).