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'}

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Related Compounds

methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 15224617
methyl (5S)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 88445821
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-oxocyclopentane-1-carboxylate
CID 134905985
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
methyl (1S,2S,3aS,5S,6S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-[(2-methylpropan-2-yl)oxy]-8-oxo-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene-2-carboxylate
CID 10938846
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl 2-[(1R,2S,3S,5R)-2-propyl-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834150
methyl 2-[(1R,2R,3S,5R)-2-(7-methoxyheptyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834154
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-cyclopentane-1,2-dicarboxylic acid 1-ethyl ester 2-(tert-Butyl-dimethyl-silanyl) Ester
CID 59619369
2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclopentane-1,2-dicarboxylate
CID 72340513
methyl 7-[(1R,2S,5S)-2-acetyl-5-[tert-butyl(dimethyl)silyl]oxycyclopentyl]heptanoate
CID 10715072

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).