4-trihydroxysilylbutanoic acid

C4H10O5Si — CID 102401251

IUPAC4-trihydroxysilylbutanoic acid
SMILESO=C(O)CCC[Si](O)(O)O
InChIInChI=1S/C4H10O5Si/c5-4(6)2-1-3-10(7,8)9/h7-9H,1-3H2,(H,5,6)
InChIKeyVYRUEMIXAPYQII-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.23
Rot. Bonds4

About 4-trihydroxysilylbutanoic acid

4-trihydroxysilylbutanoic acid (PubChem CID 102401251) has the molecular formula C4H10O5Si and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-trihydroxysilylbutanoic acid.

Molecular Properties

Compound Name4-trihydroxysilylbutanoic acid
PubChem CID102401251
Molecular FormulaC4H10O5Si
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name4-trihydroxysilylbutanoic acid
SMILESO=C(O)CCC[Si](O)(O)O
InChIInChI=1S/C4H10O5Si/c5-4(6)2-1-3-10(7,8)9/h7-9H,1-3H2,(H,5,6)
InChIKeyVYRUEMIXAPYQII-UHFFFAOYSA-N
XLogP-1.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 175714794
CID 175714794
CID 131875237
CID 131875237
4-trichlorosilylbutanoic acid;hydrochloride
CID 87576501
pentanedioic acid;stibane
CID 173344083
triacontanedioic acid
CID 5322010
CID 87067075
CID 87067075
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
azane;bis(pentanedioic acid)
CID 138524332
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 4-trihydroxysilylbutanoic acid?
The IUPAC name of 4-trihydroxysilylbutanoic acid (CID 102401251) is 4-trihydroxysilylbutanoic acid.
What is the SMILES notation for 4-trihydroxysilylbutanoic acid?
The canonical SMILES for 4-trihydroxysilylbutanoic acid is O=C(O)CCC[Si](O)(O)O.
What is the InChIKey of 4-trihydroxysilylbutanoic acid?
The InChIKey is VYRUEMIXAPYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5Si/c5-4(6)2-1-3-10(7,8)9/h7-9H,1-3H2,(H,5,6).
What are the key properties of 4-trihydroxysilylbutanoic acid?
4-trihydroxysilylbutanoic acid has a molecular weight of 166.20 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trihydroxysilylbutanoic acid is sourced from PubChem (CID 102401251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).