4-methylsilylbutanoic acid

C5H12O2Si — CID 123603820

IUPAC4-methylsilylbutanoic acid
SMILESC[SiH2]CCCC(=O)O
InChIInChI=1S/C5H12O2Si/c1-8-4-2-3-5(6)7/h2-4,8H2,1H3,(H,6,7)
InChIKeyYLDGQRFCVBQXOX-UHFFFAOYSA-N
MW132.24 g/mol
LogP0.49
Rot. Bonds4

About 4-methylsilylbutanoic acid

4-methylsilylbutanoic acid (PubChem CID 123603820) has the molecular formula C5H12O2Si and a molecular weight of 132.24 g/mol. Its IUPAC name is 4-methylsilylbutanoic acid.

Molecular Properties

Compound Name4-methylsilylbutanoic acid
PubChem CID123603820
Molecular FormulaC5H12O2Si
Molecular Weight132.24 g/mol
Exact Mass132.06
IUPAC Name4-methylsilylbutanoic acid
SMILESC[SiH2]CCCC(=O)O
InChIInChI=1S/C5H12O2Si/c1-8-4-2-3-5(6)7/h2-4,8H2,1H3,(H,6,7)
InChIKeyYLDGQRFCVBQXOX-UHFFFAOYSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanol;tridecanedioic acid
CID 175511493
chloromethane;pentanedioic acid
CID 159659659
hexanedioic acid;propan-2-one
CID 158520683
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
erbium;pentanedioic acid
CID 87931794
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
azane;bis(pentanedioic acid)
CID 138524332
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
azane;hexanedioic acid
CID 14323449

Frequently Asked Questions

What is the IUPAC name of 4-methylsilylbutanoic acid?
The IUPAC name of 4-methylsilylbutanoic acid (CID 123603820) is 4-methylsilylbutanoic acid.
What is the SMILES notation for 4-methylsilylbutanoic acid?
The canonical SMILES for 4-methylsilylbutanoic acid is C[SiH2]CCCC(=O)O.
What is the InChIKey of 4-methylsilylbutanoic acid?
The InChIKey is YLDGQRFCVBQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-8-4-2-3-5(6)7/h2-4,8H2,1H3,(H,6,7).
What are the key properties of 4-methylsilylbutanoic acid?
4-methylsilylbutanoic acid has a molecular weight of 132.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsilylbutanoic acid is sourced from PubChem (CID 123603820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).