3,3-dimethyl-2-propyl-4-silylpentanoic acid

C10H22O2Si — CID 173117669

IUPAC3,3-dimethyl-2-propyl-4-silylpentanoic acid
SMILESCCCC(C(=O)O)C(C)(C)C(C)[SiH3]
InChIInChI=1S/C10H22O2Si/c1-5-6-8(9(11)12)10(3,4)7(2)13/h7-8H,5-6H2,1-4,13H3,(H,11,12)
InChIKeyJCOWYALOMOHQAJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.69
Rot. Bonds5

About 3,3-dimethyl-2-propyl-4-silylpentanoic acid

3,3-dimethyl-2-propyl-4-silylpentanoic acid (PubChem CID 173117669) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-propyl-4-silylpentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-propyl-4-silylpentanoic acid
PubChem CID173117669
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3,3-dimethyl-2-propyl-4-silylpentanoic acid
SMILESCCCC(C(=O)O)C(C)(C)C(C)[SiH3]
InChIInChI=1S/C10H22O2Si/c1-5-6-8(9(11)12)10(3,4)7(2)13/h7-8H,5-6H2,1-4,13H3,(H,11,12)
InChIKeyJCOWYALOMOHQAJ-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.69
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

3-hydroxy-3,6-dimethyl-2-propylheptanoic acid
CID 83042761
2-(trifluoromethyl)pentanoic acid
CID 20539748
2-[1,1-bis(tert-butylperoxy)ethyl]pentanoic acid
CID 88814998
2-(2-tert-butylperoxypropan-2-yl)pentanoic acid
CID 175510137
2-silylpentanoic acid
CID 154177343
ethane;2-propan-2-ylpentanoic acid
CID 175540570
CID 159174397
CID 159174397
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
3-methyl-2-propylpentanoic acid
CID 54305821
2-(2-tert-butylpentanoyloxy)butanoic acid
CID 89119130
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propyl-4-silylpentanoic acid?
The IUPAC name of 3,3-dimethyl-2-propyl-4-silylpentanoic acid (CID 173117669) is 3,3-dimethyl-2-propyl-4-silylpentanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-propyl-4-silylpentanoic acid?
The canonical SMILES for 3,3-dimethyl-2-propyl-4-silylpentanoic acid is CCCC(C(=O)O)C(C)(C)C(C)[SiH3].
What is the InChIKey of 3,3-dimethyl-2-propyl-4-silylpentanoic acid?
The InChIKey is JCOWYALOMOHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-6-8(9(11)12)10(3,4)7(2)13/h7-8H,5-6H2,1-4,13H3,(H,11,12).
What are the key properties of 3,3-dimethyl-2-propyl-4-silylpentanoic acid?
3,3-dimethyl-2-propyl-4-silylpentanoic acid has a molecular weight of 202.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propyl-4-silylpentanoic acid is sourced from PubChem (CID 173117669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).