(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid

C10H22O2Si — CID 124629146

IUPAC(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
SMILESCC(C)(C)C[C@H](C(=O)O)[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-10(2,3)7-8(9(11)12)13(4,5)6/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeyQECIHBNAMCOAGX-MRVPVSSYSA-N
MW202.37 g/mol
LogP3.22
Rot. Bonds3

About (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid

(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid (PubChem CID 124629146) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
PubChem CID124629146
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
SMILESCC(C)(C)C[C@H](C(=O)O)[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-10(2,3)7-8(9(11)12)13(4,5)6/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeyQECIHBNAMCOAGX-MRVPVSSYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid?
The IUPAC name of (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid (CID 124629146) is (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid.
What is the SMILES notation for (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid?
The canonical SMILES for (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid is CC(C)(C)C[C@H](C(=O)O)[Si](C)(C)C.
What is the InChIKey of (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid?
The InChIKey is QECIHBNAMCOAGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-10(2,3)7-8(9(11)12)13(4,5)6/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid?
(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid has a molecular weight of 202.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid is sourced from PubChem (CID 124629146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).