1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol

C14H35NO8Si2 — CID 20591048

IUPAC1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
SMILESCO[Si](CCCNCC(O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H35NO8Si2/c1-17-24(18-2,19-3)11-7-9-15-13-14(16)23-10-8-12-25(20-4,21-5)22-6/h14-16H,7-13H2,1-6H3
InChIKeyMRIPSRHSLMPUCY-UHFFFAOYSA-N
MW401.61 g/mol
LogP0.45
Rot. Bonds17

About 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol

1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol (PubChem CID 20591048) has the molecular formula C14H35NO8Si2 and a molecular weight of 401.61 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
PubChem CID20591048
Molecular FormulaC14H35NO8Si2
Molecular Weight401.61 g/mol
Exact Mass401.19
IUPAC Name1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
SMILESCO[Si](CCCNCC(O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H35NO8Si2/c1-17-24(18-2,19-3)11-7-9-15-13-14(16)23-10-8-12-25(20-4,21-5)22-6/h14-16H,7-13H2,1-6H3
InChIKeyMRIPSRHSLMPUCY-UHFFFAOYSA-N
XLogP0.45
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.61
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 20618096
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
1-N-(3-trimethoxysilylpropyl)butane-1,2,3-triamine
CID 175223273
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
2-(2-aminoethylamino)-1-ethoxyethanol
CID 57110947
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
CID 58122243

Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol?
The IUPAC name of 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol (CID 20591048) is 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol.
What is the SMILES notation for 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol?
The canonical SMILES for 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol is CO[Si](CCCNCC(O)OCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol?
The InChIKey is MRIPSRHSLMPUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO8Si2/c1-17-24(18-2,19-3)11-7-9-15-13-14(16)23-10-8-12-25(20-4,21-5)22-6/h14-16H,7-13H2,1-6H3.
What are the key properties of 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol?
1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol has a molecular weight of 401.61 g/mol, XLogP of 0.45, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol is sourced from PubChem (CID 20591048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).