[dicarboxy(prop-2-enyl)silyl]formic acid

C6H8O6Si — CID 142722982

IUPAC[dicarboxy(prop-2-enyl)silyl]formic acid
SMILESC=CC[Si](C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C6H8O6Si/c1-2-3-13(4(7)8,5(9)10)6(11)12/h2H,1,3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyCCHASXOWFKLRCI-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.40
Rot. Bonds5

About [dicarboxy(prop-2-enyl)silyl]formic acid

[dicarboxy(prop-2-enyl)silyl]formic acid (PubChem CID 142722982) has the molecular formula C6H8O6Si and a molecular weight of 204.21 g/mol. Its IUPAC name is [dicarboxy(prop-2-enyl)silyl]formic acid.

Molecular Properties

Compound Name[dicarboxy(prop-2-enyl)silyl]formic acid
PubChem CID142722982
Molecular FormulaC6H8O6Si
Molecular Weight204.21 g/mol
Exact Mass204.01
IUPAC Name[dicarboxy(prop-2-enyl)silyl]formic acid
SMILESC=CC[Si](C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C6H8O6Si/c1-2-3-13(4(7)8,5(9)10)6(11)12/h2H,1,3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyCCHASXOWFKLRCI-UHFFFAOYSA-N
XLogP1.40
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dicarboxy(prop-2-enyl)silyl]formic acid?
The IUPAC name of [dicarboxy(prop-2-enyl)silyl]formic acid (CID 142722982) is [dicarboxy(prop-2-enyl)silyl]formic acid.
What is the SMILES notation for [dicarboxy(prop-2-enyl)silyl]formic acid?
The canonical SMILES for [dicarboxy(prop-2-enyl)silyl]formic acid is C=CC[Si](C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of [dicarboxy(prop-2-enyl)silyl]formic acid?
The InChIKey is CCHASXOWFKLRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6Si/c1-2-3-13(4(7)8,5(9)10)6(11)12/h2H,1,3H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of [dicarboxy(prop-2-enyl)silyl]formic acid?
[dicarboxy(prop-2-enyl)silyl]formic acid has a molecular weight of 204.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dicarboxy(prop-2-enyl)silyl]formic acid is sourced from PubChem (CID 142722982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).