2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid

C16H20O4Si — CID 175221682

IUPAC2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1C=O
InChIInChI=1S/C16H20O4Si/c1-21(2,11-6-4-3-5-7-11)15-9-14(18)12(8-16(19)20)13(15)10-17/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,19,20)/t12-,13-,15-/m1/s1
InChIKeyLHCVGIDPQQMVIB-UMVBOHGHSA-N
MW304.42 g/mol
LogP1.85
Rot. Bonds5

About 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid

2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid (PubChem CID 175221682) has the molecular formula C16H20O4Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid
PubChem CID175221682
Molecular FormulaC16H20O4Si
Molecular Weight304.42 g/mol
Exact Mass304.11
IUPAC Name2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1C=O
InChIInChI=1S/C16H20O4Si/c1-21(2,11-6-4-3-5-7-11)15-9-14(18)12(8-16(19)20)13(15)10-17/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,19,20)/t12-,13-,15-/m1/s1
InChIKeyLHCVGIDPQQMVIB-UMVBOHGHSA-N
XLogP1.85
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid (CID 175221682) is 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid is C[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@H](CC(=O)O)[C@H]1C=O.
What is the InChIKey of 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid?
The InChIKey is LHCVGIDPQQMVIB-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H20O4Si/c1-21(2,11-6-4-3-5-7-11)15-9-14(18)12(8-16(19)20)13(15)10-17/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,19,20)/t12-,13-,15-/m1/s1.
What are the key properties of 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid?
2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid has a molecular weight of 304.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid is sourced from PubChem (CID 175221682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).