5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine

C14H28N2O2Si2 — CID 58050908

IUPAC5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine
SMILESC[Si](C)(C)O[Si](C)(C)CCOCc1cc(N)cc(N)c1
InChIInChI=1S/C14H28N2O2Si2/c1-19(2,3)18-20(4,5)7-6-17-11-12-8-13(15)10-14(16)9-12/h8-10H,6-7,11,15-16H2,1-5H3
InChIKeyKYDUELJZXUOJSR-UHFFFAOYSA-N
MW312.56 g/mol
LogP3.42
Rot. Bonds7

About 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine

5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine (PubChem CID 58050908) has the molecular formula C14H28N2O2Si2 and a molecular weight of 312.56 g/mol. Its IUPAC name is 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine
PubChem CID58050908
Molecular FormulaC14H28N2O2Si2
Molecular Weight312.56 g/mol
Exact Mass312.17
IUPAC Name5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine
SMILESC[Si](C)(C)O[Si](C)(C)CCOCc1cc(N)cc(N)c1
InChIInChI=1S/C14H28N2O2Si2/c1-19(2,3)18-20(4,5)7-6-17-11-12-8-13(15)10-14(16)9-12/h8-10H,6-7,11,15-16H2,1-5H3
InChIKeyKYDUELJZXUOJSR-UHFFFAOYSA-N
XLogP3.42
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine?
The IUPAC name of 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine (CID 58050908) is 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine?
The canonical SMILES for 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine is C[Si](C)(C)O[Si](C)(C)CCOCc1cc(N)cc(N)c1.
What is the InChIKey of 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine?
The InChIKey is KYDUELJZXUOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2Si2/c1-19(2,3)18-20(4,5)7-6-17-11-12-8-13(15)10-14(16)9-12/h8-10H,6-7,11,15-16H2,1-5H3.
What are the key properties of 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine?
5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine has a molecular weight of 312.56 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[dimethyl(trimethylsilyloxy)silyl]ethoxymethyl]benzene-1,3-diamine is sourced from PubChem (CID 58050908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).