3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine

C33H71NO4Si5 — CID 20769991

IUPAC3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine
SMILESCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CC(C)c1ccccc1)O[Si](C)(CCCN)O[Si](C)(C)C
InChIInChI=1S/C33H71NO4Si5/c1-12-13-14-15-16-17-18-19-20-24-29-41(9,35-39(3,4)5)37-43(11,31-32(2)33-26-22-21-23-27-33)38-42(10,30-25-28-34)36-40(6,7)8/h21-23,26-27,32H,12-20,24-25,28-31,34H2,1-11H3
InChIKeyBDTJBOILFXMVJI-UHFFFAOYSA-N
MW686.36 g/mol
LogP11.01
Rot. Bonds25

About 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine

3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine (PubChem CID 20769991) has the molecular formula C33H71NO4Si5 and a molecular weight of 686.36 g/mol. Its IUPAC name is 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine
PubChem CID20769991
Molecular FormulaC33H71NO4Si5
Molecular Weight686.36 g/mol
Exact Mass685.42
IUPAC Name3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine
SMILESCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CC(C)c1ccccc1)O[Si](C)(CCCN)O[Si](C)(C)C
InChIInChI=1S/C33H71NO4Si5/c1-12-13-14-15-16-17-18-19-20-24-29-41(9,35-39(3,4)5)37-43(11,31-32(2)33-26-22-21-23-27-33)38-42(10,30-25-28-34)36-40(6,7)8/h21-23,26-27,32H,12-20,24-25,28-31,34H2,1-11H3
InChIKeyBDTJBOILFXMVJI-UHFFFAOYSA-N
XLogP11.01
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.36
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[methyl-(methyl-propyl-trimethylsilyloxysilyl)oxy-trimethylsilyloxysilyl]propan-1-amine
CID 123147792
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
butyl-methyl-[methyl-(3-phenylpropyl)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
CID 58381839
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
1-octoxypropan-2-ylbenzene
CID 77473849
[dimethyl-(methyl-pentyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-trimethylsilyloxysilane
CID 59892520
[dimethyl(2-phenylpropyl)silyl]oxy-(2,2-diphenylethyl)-dimethylsilane
CID 71420564
3-[hexyl(dimethyl)silyl]propan-1-amine
CID 139880015
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
1-phenyldecan-1-amine
CID 43175860
N-(2-phenylpropyl)nonan-2-amine
CID 43130018
benzene;octadecan-1-amine
CID 175562752

Frequently Asked Questions

What is the IUPAC name of 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine?
The IUPAC name of 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine (CID 20769991) is 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine?
The canonical SMILES for 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine is CCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CC(C)c1ccccc1)O[Si](C)(CCCN)O[Si](C)(C)C.
What is the InChIKey of 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine?
The InChIKey is BDTJBOILFXMVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H71NO4Si5/c1-12-13-14-15-16-17-18-19-20-24-29-41(9,35-39(3,4)5)37-43(11,31-32(2)33-26-22-21-23-27-33)38-42(10,30-25-28-34)36-40(6,7)8/h21-23,26-27,32H,12-20,24-25,28-31,34H2,1-11H3.
What are the key properties of 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine?
3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine has a molecular weight of 686.36 g/mol, XLogP of 11.01, 25 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(dodecyl-methyl-trimethylsilyloxysilyl)oxy-methyl-(2-phenylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine is sourced from PubChem (CID 20769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).