silane;3,4,5-trihydroxybenzoic acid

C7H10O5Si — CID 174840630

IUPACsilane;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[SiH4]
InChIInChI=1S/C7H6O5.H4Si/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H4
InChIKeyRCXYJOVNBMYTPS-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.95
Rot. Bonds1

About silane;3,4,5-trihydroxybenzoic acid

silane;3,4,5-trihydroxybenzoic acid (PubChem CID 174840630) has the molecular formula C7H10O5Si and a molecular weight of 202.24 g/mol. Its IUPAC name is silane;3,4,5-trihydroxybenzoic acid.

Molecular Properties

Compound Namesilane;3,4,5-trihydroxybenzoic acid
PubChem CID174840630
Molecular FormulaC7H10O5Si
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Namesilane;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[SiH4]
InChIInChI=1S/C7H6O5.H4Si/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H4
InChIKeyRCXYJOVNBMYTPS-UHFFFAOYSA-N
XLogP-0.95
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3,4,5-trihydroxybenzoic acid
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CID 174741030
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Frequently Asked Questions

What is the IUPAC name of silane;3,4,5-trihydroxybenzoic acid?
The IUPAC name of silane;3,4,5-trihydroxybenzoic acid (CID 174840630) is silane;3,4,5-trihydroxybenzoic acid.
What is the SMILES notation for silane;3,4,5-trihydroxybenzoic acid?
The canonical SMILES for silane;3,4,5-trihydroxybenzoic acid is O=C(O)c1cc(O)c(O)c(O)c1.[SiH4].
What is the InChIKey of silane;3,4,5-trihydroxybenzoic acid?
The InChIKey is RCXYJOVNBMYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5.H4Si/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H4.
What are the key properties of silane;3,4,5-trihydroxybenzoic acid?
silane;3,4,5-trihydroxybenzoic acid has a molecular weight of 202.24 g/mol, XLogP of -0.95, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silane;3,4,5-trihydroxybenzoic acid is sourced from PubChem (CID 174840630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).