2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol

C23H32O5Si — CID 175996715

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCCOC1(c2ccccc2)Oc2ccccc2C(O)C1O
InChIInChI=1S/C23H32O5Si/c1-22(2,3)29(4,5)27-16-15-26-23(17-11-7-6-8-12-17)21(25)20(24)18-13-9-10-14-19(18)28-23/h6-14,20-21,24-25H,15-16H2,1-5H3
InChIKeyCTMYDWBJTQNMGQ-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.36
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol

2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol (PubChem CID 175996715) has the molecular formula C23H32O5Si and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol
PubChem CID175996715
Molecular FormulaC23H32O5Si
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCCOC1(c2ccccc2)Oc2ccccc2C(O)C1O
InChIInChI=1S/C23H32O5Si/c1-22(2,3)29(4,5)27-16-15-26-23(17-11-7-6-8-12-17)21(25)20(24)18-13-9-10-14-19(18)28-23/h6-14,20-21,24-25H,15-16H2,1-5H3
InChIKeyCTMYDWBJTQNMGQ-UHFFFAOYSA-N
XLogP4.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol (CID 175996715) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol is CC(C)(C)[Si](C)(C)OCCOC1(c2ccccc2)Oc2ccccc2C(O)C1O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol?
The InChIKey is CTMYDWBJTQNMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5Si/c1-22(2,3)29(4,5)27-16-15-26-23(17-11-7-6-8-12-17)21(25)20(24)18-13-9-10-14-19(18)28-23/h6-14,20-21,24-25H,15-16H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol?
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol has a molecular weight of 416.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenyl-3,4-dihydrochromene-3,4-diol is sourced from PubChem (CID 175996715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).