1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane

C32H33F13O3Si — CID 174391868

IUPAC1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane
SMILESCCCCCCCC[Si](OCC)(OCC)OCC.FC1=C(F)C(F)(F)C(F)(F)c2cc(F)c3c(c(F)c(F)c4c(F)c(F)c(F)c(F)c43)c21
InChIInChI=1S/C18HF13.C14H32O3Si/c19-3-1-2-4(13(24)16(27)18(30,31)17(2,28)29)6-5(3)7-8(11(22)9(6)20)12(23)15(26)14(25)10(7)21;1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H;5-14H2,1-4H3
InChIKeyXHZYUWCBLWPLHO-UHFFFAOYSA-N
MW740.67 g/mol
LogP11.71
Rot. Bonds13

About 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane

1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane (PubChem CID 174391868) has the molecular formula C32H33F13O3Si and a molecular weight of 740.67 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane.

Molecular Properties

Compound Name1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane
PubChem CID174391868
Molecular FormulaC32H33F13O3Si
Molecular Weight740.67 g/mol
Exact Mass740.20
IUPAC Name1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane
SMILESCCCCCCCC[Si](OCC)(OCC)OCC.FC1=C(F)C(F)(F)C(F)(F)c2cc(F)c3c(c(F)c(F)c4c(F)c(F)c(F)c(F)c43)c21
InChIInChI=1S/C18HF13.C14H32O3Si/c19-3-1-2-4(13(24)16(27)18(30,31)17(2,28)29)6-5(3)7-8(11(22)9(6)20)12(23)15(26)14(25)10(7)21;1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H;5-14H2,1-4H3
InChIKeyXHZYUWCBLWPLHO-UHFFFAOYSA-N
XLogP11.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.67
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[18-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyoctadecyl]silane
CID 87448204

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane?
The IUPAC name of 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane (CID 174391868) is 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane.
What is the SMILES notation for 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane?
The canonical SMILES for 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane is CCCCCCCC[Si](OCC)(OCC)OCC.FC1=C(F)C(F)(F)C(F)(F)c2cc(F)c3c(c(F)c(F)c4c(F)c(F)c(F)c(F)c43)c21.
What is the InChIKey of 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane?
The InChIKey is XHZYUWCBLWPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18HF13.C14H32O3Si/c19-3-1-2-4(13(24)16(27)18(30,31)17(2,28)29)6-5(3)7-8(11(22)9(6)20)12(23)15(26)14(25)10(7)21;1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H;5-14H2,1-4H3.
What are the key properties of 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane?
1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane has a molecular weight of 740.67 g/mol, XLogP of 11.71, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,6,7,8,9,10,11-tridecafluorochrysene;triethoxy(octyl)silane is sourced from PubChem (CID 174391868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).