methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate

C19H36O4Si — CID 11046516

IUPACmethyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h15-16H,7-14H2,1-6H3/t15?,16-/m0/s1
InChIKeyYZAYKYKLUQKXRJ-LYKKTTPLSA-N
MW356.58 g/mol
LogP4.87
Rot. Bonds9

About methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate

methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate (PubChem CID 11046516) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
PubChem CID11046516
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Namemethyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h15-16H,7-14H2,1-6H3/t15?,16-/m0/s1
InChIKeyYZAYKYKLUQKXRJ-LYKKTTPLSA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
propan-2-yl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoate
CID 56961902
methyl (5S)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 88445821
butyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoate
CID 173576484
methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
CID 14297154
(1S,6S,9R,13R,14S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,11,15-trione
CID 134939081
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
Decanoic acid, 3-hydroxy-4-methyl, TBDMS, #1
CID 91753824
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
CID 11348848
Methyl 11-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741656
Methyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741657

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate (CID 11046516) is methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate is COC(=O)CCCCCCC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate?
The InChIKey is YZAYKYKLUQKXRJ-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h15-16H,7-14H2,1-6H3/t15?,16-/m0/s1.
What are the key properties of methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate?
methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate has a molecular weight of 356.58 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate is sourced from PubChem (CID 11046516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).