tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane

C21H29F13OSi — CID 14914240

IUPACtri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
SMILESCC(C)[Si](OC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C21H29F13OSi/c1-11(2)36(12(3)4,13(5)6)35-15-10-8-7-9-14(15)16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h11-13H,7-10H2,1-6H3
InChIKeyWQJDYPJNIGGGFT-UHFFFAOYSA-N
MW572.52 g/mol
LogP9.75
Rot. Bonds10

About tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane

tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane (PubChem CID 14914240) has the molecular formula C21H29F13OSi and a molecular weight of 572.52 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
PubChem CID14914240
Molecular FormulaC21H29F13OSi
Molecular Weight572.52 g/mol
Exact Mass572.18
IUPAC Nametri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
SMILESCC(C)[Si](OC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C21H29F13OSi/c1-11(2)36(12(3)4,13(5)6)35-15-10-8-7-9-14(15)16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h11-13H,7-10H2,1-6H3
InChIKeyWQJDYPJNIGGGFT-UHFFFAOYSA-N
XLogP9.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.52
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane (CID 14914240) is tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane is CC(C)[Si](OC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The InChIKey is WQJDYPJNIGGGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F13OSi/c1-11(2)36(12(3)4,13(5)6)35-15-10-8-7-9-14(15)16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h11-13H,7-10H2,1-6H3.
What are the key properties of tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane has a molecular weight of 572.52 g/mol, XLogP of 9.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 14914240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).