3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine

C30H52F6N2O4Si5 — CID 140854461

IUPAC3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
SMILESC[Si](C)(CCCN)O[Si](C)(C)O[Si](O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H52F6N2O4Si5/c1-43(2,23-13-21-37)39-45(5,6)41-47(27-15-9-7-10-16-27,28-17-11-8-12-18-28)42-46(25-19-29(31,32)33,26-20-30(34,35)36)40-44(3,4)24-14-22-38/h7-12,15-18H,13-14,19-26,37-38H2,1-6H3
InChIKeyHORSOPFSYWYFMW-UHFFFAOYSA-N
MW759.17 g/mol
LogP7.47
Rot. Bonds20

About 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine

3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine (PubChem CID 140854461) has the molecular formula C30H52F6N2O4Si5 and a molecular weight of 759.17 g/mol. Its IUPAC name is 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
PubChem CID140854461
Molecular FormulaC30H52F6N2O4Si5
Molecular Weight759.17 g/mol
Exact Mass758.27
IUPAC Name3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
SMILESC[Si](C)(CCCN)O[Si](C)(C)O[Si](O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H52F6N2O4Si5/c1-43(2,23-13-21-37)39-45(5,6)41-47(27-15-9-7-10-16-27,28-17-11-8-12-18-28)42-46(25-19-29(31,32)33,26-20-30(34,35)36)40-44(3,4)24-14-22-38/h7-12,15-18H,13-14,19-26,37-38H2,1-6H3
InChIKeyHORSOPFSYWYFMW-UHFFFAOYSA-N
XLogP7.47
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.17
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?
The IUPAC name of 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine (CID 140854461) is 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine.
What is the SMILES notation for 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?
The canonical SMILES for 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine is C[Si](C)(CCCN)O[Si](C)(C)O[Si](O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?
The InChIKey is HORSOPFSYWYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52F6N2O4Si5/c1-43(2,23-13-21-37)39-45(5,6)41-47(27-15-9-7-10-16-27,28-17-11-8-12-18-28)42-46(25-19-29(31,32)33,26-20-30(34,35)36)40-44(3,4)24-14-22-38/h7-12,15-18H,13-14,19-26,37-38H2,1-6H3.
What are the key properties of 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?
3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine has a molecular weight of 759.17 g/mol, XLogP of 7.47, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[[3-aminopropyl(dimethyl)silyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine is sourced from PubChem (CID 140854461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).