methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate

C18H34O5Si2 — CID 67778603

IUPACmethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate
SMILESCOC(=O)CC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C
InChIInChI=1S/C18H34O5Si2/c1-18(2,3)25(8,9)23-14-11-13(19)12(10-15(20)22-4)16(14)17(21)24(5,6)7/h12,14,16H,10-11H2,1-9H3
InChIKeyADVDDEQIBSRDIR-UHFFFAOYSA-N
MW386.64 g/mol
LogP3.59
Rot. Bonds6

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate (PubChem CID 67778603) has the molecular formula C18H34O5Si2 and a molecular weight of 386.64 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate
PubChem CID67778603
Molecular FormulaC18H34O5Si2
Molecular Weight386.64 g/mol
Exact Mass386.19
IUPAC Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate
SMILESCOC(=O)CC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C
InChIInChI=1S/C18H34O5Si2/c1-18(2,3)25(8,9)23-14-11-13(19)12(10-15(20)22-4)16(14)17(21)24(5,6)7/h12,14,16H,10-11H2,1-9H3
InChIKeyADVDDEQIBSRDIR-UHFFFAOYSA-N
XLogP3.59
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]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 methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate?
The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate (CID 67778603) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate is COC(=O)CC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C.
What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate?
The InChIKey is ADVDDEQIBSRDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si2/c1-18(2,3)25(8,9)23-14-11-13(19)12(10-15(20)22-4)16(14)17(21)24(5,6)7/h12,14,16H,10-11H2,1-9H3.
What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate?
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate has a molecular weight of 386.64 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-trimethylsilylcarbonylcyclopentyl]acetate is sourced from PubChem (CID 67778603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).