3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol

C6H14Cl3NO2Si — CID 162171903

IUPAC3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol
SMILESNC(CCO)(CCO)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H14Cl3NO2Si/c7-13(8,9)5-6(10,1-3-11)2-4-12/h11-12H,1-5,10H2
InChIKeyZNXDVSXGABPVBY-UHFFFAOYSA-N
MW266.63 g/mol
LogP1.10
Rot. Bonds6

About 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol

3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol (PubChem CID 162171903) has the molecular formula C6H14Cl3NO2Si and a molecular weight of 266.63 g/mol. Its IUPAC name is 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol
PubChem CID162171903
Molecular FormulaC6H14Cl3NO2Si
Molecular Weight266.63 g/mol
Exact Mass264.99
IUPAC Name3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol
SMILESNC(CCO)(CCO)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H14Cl3NO2Si/c7-13(8,9)5-6(10,1-3-11)2-4-12/h11-12H,1-5,10H2
InChIKeyZNXDVSXGABPVBY-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.63
LogP ≤ 51.10
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

3-amino-3-(chloromethyl)pentane-1,5-diol
CID 56976862
3-amino-3-chloropentane-1,5-diol
CID 88510587
3-amino-3-(2-hydroxyethyl)pentane-1,5-diol;sulfuric acid
CID 90239687
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362
1-aminopropane-1,1,3-triol
CID 54460463
3-(2-aminoethyl)-3-trichlorosilylpentane-1,5-diol
CID 88606577
3,4-diamino-3-(2-hydroxyethyl)-4-methylhexane-1,6-diol
CID 54177072
3-amino-3-methylbutan-1-ol
CID 641000
3-amino-3-ethylpentan-1-ol;formic acid
CID 173452352
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol?
The IUPAC name of 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol (CID 162171903) is 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol.
What is the SMILES notation for 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol?
The canonical SMILES for 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol is NC(CCO)(CCO)C[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol?
The InChIKey is ZNXDVSXGABPVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl3NO2Si/c7-13(8,9)5-6(10,1-3-11)2-4-12/h11-12H,1-5,10H2.
What are the key properties of 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol?
3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol has a molecular weight of 266.63 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(trichlorosilylmethyl)pentane-1,5-diol is sourced from PubChem (CID 162171903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).