methanol;toluene;3-trimethoxysilylpropan-1-amine

C14H29NO4Si — CID 174567080

IUPACmethanol;toluene;3-trimethoxysilylpropan-1-amine
SMILESCO.CO[Si](CCCN)(OC)OC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H17NO3Si.CH4O/c1-7-5-3-2-4-6-7;1-8-11(9-2,10-3)6-4-5-7;1-2/h2-6H,1H3;4-7H2,1-3H3;2H,1H3
InChIKeyXWEMWQZMQOFFNG-UHFFFAOYSA-N
MW303.48 g/mol
LogP1.82
Rot. Bonds6

About methanol;toluene;3-trimethoxysilylpropan-1-amine

methanol;toluene;3-trimethoxysilylpropan-1-amine (PubChem CID 174567080) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is methanol;toluene;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Namemethanol;toluene;3-trimethoxysilylpropan-1-amine
PubChem CID174567080
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Namemethanol;toluene;3-trimethoxysilylpropan-1-amine
SMILESCO.CO[Si](CCCN)(OC)OC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H17NO3Si.CH4O/c1-7-5-3-2-4-6-7;1-8-11(9-2,10-3)6-4-5-7;1-2/h2-6H,1H3;4-7H2,1-3H3;2H,1H3
InChIKeyXWEMWQZMQOFFNG-UHFFFAOYSA-N
XLogP1.82
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;toluene;3-trimethoxysilylpropan-1-amine?
The IUPAC name of methanol;toluene;3-trimethoxysilylpropan-1-amine (CID 174567080) is methanol;toluene;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for methanol;toluene;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for methanol;toluene;3-trimethoxysilylpropan-1-amine is CO.CO[Si](CCCN)(OC)OC.Cc1ccccc1.
What is the InChIKey of methanol;toluene;3-trimethoxysilylpropan-1-amine?
The InChIKey is XWEMWQZMQOFFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H17NO3Si.CH4O/c1-7-5-3-2-4-6-7;1-8-11(9-2,10-3)6-4-5-7;1-2/h2-6H,1H3;4-7H2,1-3H3;2H,1H3.
What are the key properties of methanol;toluene;3-trimethoxysilylpropan-1-amine?
methanol;toluene;3-trimethoxysilylpropan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;toluene;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 174567080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).