4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol

C16H22O7Si2 — CID 140875138

IUPAC4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol
SMILESOc1ccc(CC[Si](O)(O)O[Si](O)(O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H22O7Si2/c17-15-5-1-13(2-6-15)9-11-24(19,20)23-25(21,22)12-10-14-3-7-16(18)8-4-14/h1-8,17-22H,9-12H2
InChIKeyKWRCEGACTKLZMY-UHFFFAOYSA-N
MW382.52 g/mol
LogP0.75
Rot. Bonds8

About 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol

4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol (PubChem CID 140875138) has the molecular formula C16H22O7Si2 and a molecular weight of 382.52 g/mol. Its IUPAC name is 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol
PubChem CID140875138
Molecular FormulaC16H22O7Si2
Molecular Weight382.52 g/mol
Exact Mass382.09
IUPAC Name4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol
SMILESOc1ccc(CC[Si](O)(O)O[Si](O)(O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H22O7Si2/c17-15-5-1-13(2-6-15)9-11-24(19,20)23-25(21,22)12-10-14-3-7-16(18)8-4-14/h1-8,17-22H,9-12H2
InChIKeyKWRCEGACTKLZMY-UHFFFAOYSA-N
XLogP0.75
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 50.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol?
The IUPAC name of 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol (CID 140875138) is 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol.
What is the SMILES notation for 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol?
The canonical SMILES for 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol is Oc1ccc(CC[Si](O)(O)O[Si](O)(O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol?
The InChIKey is KWRCEGACTKLZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O7Si2/c17-15-5-1-13(2-6-15)9-11-24(19,20)23-25(21,22)12-10-14-3-7-16(18)8-4-14/h1-8,17-22H,9-12H2.
What are the key properties of 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol?
4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol has a molecular weight of 382.52 g/mol, XLogP of 0.75, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[dihydroxy-[2-(4-hydroxyphenyl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]phenol is sourced from PubChem (CID 140875138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).