2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane

C25H37NO6Si3 — CID 90659486

IUPAC2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane
SMILESCO[Si](C)(O[Si](OC)(O[Si](C)(OC)c1ccccc1)c1ccccc1)c1ccccc1.NCCO
InChIInChI=1S/C23H30O5Si3.C2H7NO/c1-24-29(4,21-15-9-6-10-16-21)27-31(26-3,23-19-13-8-14-20-23)28-30(5,25-2)22-17-11-7-12-18-22;3-1-2-4/h6-20H,1-5H3;4H,1-3H2
InChIKeyPWLYTRNYSPOQAZ-UHFFFAOYSA-N
MW531.83 g/mol
LogP1.70
Rot. Bonds11

About 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane

2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane (PubChem CID 90659486) has the molecular formula C25H37NO6Si3 and a molecular weight of 531.83 g/mol. Its IUPAC name is 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane.

Molecular Properties

Compound Name2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane
PubChem CID90659486
Molecular FormulaC25H37NO6Si3
Molecular Weight531.83 g/mol
Exact Mass531.19
IUPAC Name2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane
SMILESCO[Si](C)(O[Si](OC)(O[Si](C)(OC)c1ccccc1)c1ccccc1)c1ccccc1.NCCO
InChIInChI=1S/C23H30O5Si3.C2H7NO/c1-24-29(4,21-15-9-6-10-16-21)27-31(26-3,23-19-13-8-14-20-23)28-30(5,25-2)22-17-11-7-12-18-22;3-1-2-4/h6-20H,1-5H3;4H,1-3H2
InChIKeyPWLYTRNYSPOQAZ-UHFFFAOYSA-N
XLogP1.70
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.83
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 6455506
CID 6455506
CID 11001043
CID 11001043
CID 71362476
CID 71362476
CID 172053498
CID 172053498
CID 172907447
CID 172907447
CID 176469666
CID 176469666
CID 172907440
CID 172907440
CID 172907475
CID 172907475
CID 20591828
CID 20591828
CID 21428433
CID 21428433
CID 21640049
CID 21640049
CID 21739278
CID 21739278

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane?
The IUPAC name of 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane (CID 90659486) is 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane.
What is the SMILES notation for 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane?
The canonical SMILES for 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane is CO[Si](C)(O[Si](OC)(O[Si](C)(OC)c1ccccc1)c1ccccc1)c1ccccc1.NCCO.
What is the InChIKey of 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane?
The InChIKey is PWLYTRNYSPOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5Si3.C2H7NO/c1-24-29(4,21-15-9-6-10-16-21)27-31(26-3,23-19-13-8-14-20-23)28-30(5,25-2)22-17-11-7-12-18-22;3-1-2-4/h6-20H,1-5H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane?
2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane has a molecular weight of 531.83 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;methoxy-bis[(methoxy-methyl-phenylsilyl)oxy]-phenylsilane is sourced from PubChem (CID 90659486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).