6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol

C18H41NO8Si — CID 165048221

IUPAC6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol
SMILESCC(N)COCCOC(C)COCC(C)CCC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C18H41NO8Si/c1-15(5-6-18(20)14-24-7-4-10-28(21,22)23)11-26-13-17(3)27-9-8-25-12-16(2)19/h15-18,20-23H,4-14,19H2,1-3H3
InChIKeyRUGPTJLAGNMSHE-UHFFFAOYSA-N
MW427.61 g/mol
LogP-0.13
Rot. Bonds19

About 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol

6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol (PubChem CID 165048221) has the molecular formula C18H41NO8Si and a molecular weight of 427.61 g/mol. Its IUPAC name is 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol.

Molecular Properties

Compound Name6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol
PubChem CID165048221
Molecular FormulaC18H41NO8Si
Molecular Weight427.61 g/mol
Exact Mass427.26
IUPAC Name6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol
SMILESCC(N)COCCOC(C)COCC(C)CCC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C18H41NO8Si/c1-15(5-6-18(20)14-24-7-4-10-28(21,22)23)11-26-13-17(3)27-9-8-25-12-16(2)19/h15-18,20-23H,4-14,19H2,1-3H3
InChIKeyRUGPTJLAGNMSHE-UHFFFAOYSA-N
XLogP-0.13
TPSA143.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

1-[2-[2-(4-cyclopropyl-2-methylbutoxy)ethoxy]propoxy]propan-2-amine
CID 165054791
1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
CID 59847764
1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412169
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
1-[2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412177
1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412214
1-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412184
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
[methyl-[3-[1-[3-[methyl(disulfooxy)silyl]propoxy]propan-2-yloxy]propyl]-sulfooxysilyl] hydrogen sulfate
CID 153456865

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol?
The IUPAC name of 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol (CID 165048221) is 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol.
What is the SMILES notation for 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol?
The canonical SMILES for 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol is CC(N)COCCOC(C)COCC(C)CCC(O)COCCC[Si](O)(O)O.
What is the InChIKey of 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol?
The InChIKey is RUGPTJLAGNMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO8Si/c1-15(5-6-18(20)14-24-7-4-10-28(21,22)23)11-26-13-17(3)27-9-8-25-12-16(2)19/h15-18,20-23H,4-14,19H2,1-3H3.
What are the key properties of 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol?
6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol has a molecular weight of 427.61 g/mol, XLogP of -0.13, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-aminopropoxy)ethoxy]propoxy]-5-methyl-1-(3-trihydroxysilylpropoxy)hexan-2-ol is sourced from PubChem (CID 165048221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).