3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol

C7H16Cl3NO2Si — CID 88606577

IUPAC3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol
SMILESNCCC(CCO)(CCO)[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7(1-4-11,2-5-12)3-6-13/h12-13H,1-6,11H2
InChIKeyJYRUTAKARGLLRN-UHFFFAOYSA-N
MW280.66 g/mol
LogP1.50
Rot. Bonds7

About 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol

3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol (PubChem CID 88606577) has the molecular formula C7H16Cl3NO2Si and a molecular weight of 280.66 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol
PubChem CID88606577
Molecular FormulaC7H16Cl3NO2Si
Molecular Weight280.66 g/mol
Exact Mass279.00
IUPAC Name3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol
SMILESNCCC(CCO)(CCO)[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7(1-4-11,2-5-12)3-6-13/h12-13H,1-6,11H2
InChIKeyJYRUTAKARGLLRN-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;ethane
CID 90703907
3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol
CID 162171903
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
3-amino-3-chloropentane-1,5-diol
CID 88510587
1,5-diamino-3-methylpentan-3-ol
CID 55289745
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
2-amino(113C)ethanol;hydrochloride
CID 13000307
CID 162010675
CID 162010675
sodium 2-aminoethanol
CID 18941740
4-aminobutane-1,2,2-triol
CID 90003311

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol?
The IUPAC name of 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol (CID 88606577) is 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol.
What is the SMILES notation for 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol?
The canonical SMILES for 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol is NCCC(CCO)(CCO)[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol?
The InChIKey is JYRUTAKARGLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl3NO2Si/c8-14(9,10)7(1-4-11,2-5-12)3-6-13/h12-13H,1-6,11H2.
What are the key properties of 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol?
3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol has a molecular weight of 280.66 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol is sourced from PubChem (CID 88606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).