[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate

C17H32O6Si — CID 57067393

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C(O)(O)C1CCC(=O)C1
InChIInChI=1S/C17H32O6Si/c1-12(18)22-10-14(11-23-24(5,6)16(2,3)4)17(20,21)13-7-8-15(19)9-13/h13-14,20-21H,7-11H2,1-6H3
InChIKeyVCDYXBSEVIRQNK-UHFFFAOYSA-N
MW360.52 g/mol
LogP2.24
Rot. Bonds7

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate (PubChem CID 57067393) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate
PubChem CID57067393
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate
SMILESCC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C(O)(O)C1CCC(=O)C1
InChIInChI=1S/C17H32O6Si/c1-12(18)22-10-14(11-23-24(5,6)16(2,3)4)17(20,21)13-7-8-15(19)9-13/h13-14,20-21H,7-11H2,1-6H3
InChIKeyVCDYXBSEVIRQNK-UHFFFAOYSA-N
XLogP2.24
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate (CID 57067393) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate is CC(=O)OCC(CO[Si](C)(C)C(C)(C)C)C(O)(O)C1CCC(=O)C1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate?
The InChIKey is VCDYXBSEVIRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-12(18)22-10-14(11-23-24(5,6)16(2,3)4)17(20,21)13-7-8-15(19)9-13/h13-14,20-21H,7-11H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate has a molecular weight of 360.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dihydroxy-3-(3-oxocyclopentyl)propyl] acetate is sourced from PubChem (CID 57067393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).