[benzyl(carboxy)silyl]formic acid

C9H10O4Si — CID 150898536

IUPAC[benzyl(carboxy)silyl]formic acid
SMILESO=C(O)[SiH](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10O4Si/c10-8(11)14(9(12)13)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,11)(H,12,13)
InChIKeyKZNGRWOMKCUFLX-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.51
Rot. Bonds4

About [benzyl(carboxy)silyl]formic acid

[benzyl(carboxy)silyl]formic acid (PubChem CID 150898536) has the molecular formula C9H10O4Si and a molecular weight of 210.26 g/mol. Its IUPAC name is [benzyl(carboxy)silyl]formic acid.

Molecular Properties

Compound Name[benzyl(carboxy)silyl]formic acid
PubChem CID150898536
Molecular FormulaC9H10O4Si
Molecular Weight210.26 g/mol
Exact Mass210.03
IUPAC Name[benzyl(carboxy)silyl]formic acid
SMILESO=C(O)[SiH](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10O4Si/c10-8(11)14(9(12)13)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,11)(H,12,13)
InChIKeyKZNGRWOMKCUFLX-UHFFFAOYSA-N
XLogP1.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [benzyl(carboxy)silyl]formic acid?
The IUPAC name of [benzyl(carboxy)silyl]formic acid (CID 150898536) is [benzyl(carboxy)silyl]formic acid.
What is the SMILES notation for [benzyl(carboxy)silyl]formic acid?
The canonical SMILES for [benzyl(carboxy)silyl]formic acid is O=C(O)[SiH](Cc1ccccc1)C(=O)O.
What is the InChIKey of [benzyl(carboxy)silyl]formic acid?
The InChIKey is KZNGRWOMKCUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4Si/c10-8(11)14(9(12)13)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,11)(H,12,13).
What are the key properties of [benzyl(carboxy)silyl]formic acid?
[benzyl(carboxy)silyl]formic acid has a molecular weight of 210.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(carboxy)silyl]formic acid is sourced from PubChem (CID 150898536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).