2-silylpentanoic acid

C5H12O2Si — CID 154177343

IUPAC2-silylpentanoic acid
SMILESCCCC([SiH3])C(=O)O
InChIInChI=1S/C5H12O2Si/c1-2-3-4(8)5(6)7/h4H,2-3H2,1,8H3,(H,6,7)
InChIKeyXLLUGJCSRUOJHI-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.03
Rot. Bonds3

About 2-silylpentanoic acid

2-silylpentanoic acid (PubChem CID 154177343) has the molecular formula C5H12O2Si and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-silylpentanoic acid.

Molecular Properties

Compound Name2-silylpentanoic acid
PubChem CID154177343
Molecular FormulaC5H12O2Si
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-silylpentanoic acid
SMILESCCCC([SiH3])C(=O)O
InChIInChI=1S/C5H12O2Si/c1-2-3-4(8)5(6)7/h4H,2-3H2,1,8H3,(H,6,7)
InChIKeyXLLUGJCSRUOJHI-UHFFFAOYSA-N
XLogP0.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-ethylpentanoic acid
CID 158993232
CID 159174397
CID 159174397
2-ethylpentanoic acid
CID 30020
3,3-dimethyl-2-propyl-4-silylpentanoic acid
CID 173117669
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
dihydroxy(oxo)phosphanium;2-propylpropanedioic acid
CID 174636212
2-pentan-2-ylpropanedioic acid
CID 11469359
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
(2S)-3-oxo-2-propylpentanoic acid
CID 40565903
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831

Frequently Asked Questions

What is the IUPAC name of 2-silylpentanoic acid?
The IUPAC name of 2-silylpentanoic acid (CID 154177343) is 2-silylpentanoic acid.
What is the SMILES notation for 2-silylpentanoic acid?
The canonical SMILES for 2-silylpentanoic acid is CCCC([SiH3])C(=O)O.
What is the InChIKey of 2-silylpentanoic acid?
The InChIKey is XLLUGJCSRUOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-2-3-4(8)5(6)7/h4H,2-3H2,1,8H3,(H,6,7).
What are the key properties of 2-silylpentanoic acid?
2-silylpentanoic acid has a molecular weight of 132.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silylpentanoic acid is sourced from PubChem (CID 154177343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).