3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine

C14H41NO14Si8 — CID 71078061

IUPAC3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine
SMILESCO[Si]1(C)O[Si](C)(OC)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(OC)O[Si](C)(OC)O[Si](CCCN)(O2)O1
InChIInChI=1S/C14H41NO14Si8/c1-16-30(5)20-31(6,17-2)23-35(10)25-34(9,22-30)26-36(11)24-32(7,18-3)21-33(8,19-4)27-37(28-35,29-36)14-12-13-15/h12-15H2,1-11H3
InChIKeyMUMRCSFQFNPUQT-UHFFFAOYSA-N
MW672.16 g/mol
LogP1.05
Rot. Bonds7

About 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine

3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine (PubChem CID 71078061) has the molecular formula C14H41NO14Si8 and a molecular weight of 672.16 g/mol. Its IUPAC name is 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine
PubChem CID71078061
Molecular FormulaC14H41NO14Si8
Molecular Weight672.16 g/mol
Exact Mass671.07
IUPAC Name3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine
SMILESCO[Si]1(C)O[Si](C)(OC)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(OC)O[Si](C)(OC)O[Si](CCCN)(O2)O1
InChIInChI=1S/C14H41NO14Si8/c1-16-30(5)20-31(6,17-2)23-35(10)25-34(9,22-30)26-36(11)24-32(7,18-3)21-33(8,19-4)27-37(28-35,29-36)14-12-13-15/h12-15H2,1-11H3
InChIKeyMUMRCSFQFNPUQT-UHFFFAOYSA-N
XLogP1.05
TPSA155.24 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine?
The IUPAC name of 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine (CID 71078061) is 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine is CO[Si]1(C)O[Si](C)(OC)O[Si]2(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(OC)O[Si](C)(OC)O[Si](CCCN)(O2)O1.
What is the InChIKey of 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine?
The InChIKey is MUMRCSFQFNPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H41NO14Si8/c1-16-30(5)20-31(6,17-2)23-35(10)25-34(9,22-30)26-36(11)24-32(7,18-3)21-33(8,19-4)27-37(28-35,29-36)14-12-13-15/h12-15H2,1-11H3.
What are the key properties of 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine?
3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine has a molecular weight of 672.16 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine is sourced from PubChem (CID 71078061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).