3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol

C10H16O5Si — CID 159941112

IUPAC3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol
SMILESCC(C)(C)c1c(O)c(O)c([SiH2]O)c(O)c1O
InChIInChI=1S/C10H16O5Si/c1-10(2,3)4-5(11)7(13)9(16-15)8(14)6(4)12/h11-15H,16H2,1-3H3
InChIKeyHWQZENYCIQLLAA-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.49
Rot. Bonds1

About 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol

3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol (PubChem CID 159941112) has the molecular formula C10H16O5Si and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol.

Molecular Properties

Compound Name3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol
PubChem CID159941112
Molecular FormulaC10H16O5Si
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol
SMILESCC(C)(C)c1c(O)c(O)c([SiH2]O)c(O)c1O
InChIInChI=1S/C10H16O5Si/c1-10(2,3)4-5(11)7(13)9(16-15)8(14)6(4)12/h11-15H,16H2,1-3H3
InChIKeyHWQZENYCIQLLAA-UHFFFAOYSA-N
XLogP-0.49
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol?
The IUPAC name of 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol (CID 159941112) is 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol.
What is the SMILES notation for 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol?
The canonical SMILES for 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol is CC(C)(C)c1c(O)c(O)c([SiH2]O)c(O)c1O.
What is the InChIKey of 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol?
The InChIKey is HWQZENYCIQLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5Si/c1-10(2,3)4-5(11)7(13)9(16-15)8(14)6(4)12/h11-15H,16H2,1-3H3.
What are the key properties of 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol?
3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol has a molecular weight of 244.32 g/mol, XLogP of -0.49, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-hydroxysilylbenzene-1,2,4,5-tetrol is sourced from PubChem (CID 159941112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).