[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate

C19H38O4Si — CID 10618415

IUPAC[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C19H38O4Si/c1-8-24(9-2,10-3)23-17(16(4)15-20)13-11-12-14-22-18(21)19(5,6)7/h15-17H,8-14H2,1-7H3/t16-,17-/m1/s1
InChIKeySGYHKTJNAQVMPA-IAGOWNOFSA-N
MW358.60 g/mol
LogP4.97
Rot. Bonds12

About [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate

[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate (PubChem CID 10618415) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
PubChem CID10618415
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C19H38O4Si/c1-8-24(9-2,10-3)23-17(16(4)15-20)13-11-12-14-22-18(21)19(5,6)7/h15-17H,8-14H2,1-7H3/t16-,17-/m1/s1
InChIKeySGYHKTJNAQVMPA-IAGOWNOFSA-N
XLogP4.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-7-oxoheptyl] 2,2-dimethylpropanoate
CID 10620340
(2S)-2-[(2S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-8-oxooxocan-2-yl]propanal
CID 11142047
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
(3S,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,6-dimethylheptanal
CID 101579951
methyl (2S,3R,4S,5R,6S)-3-methoxy-2,4,6-trimethyl-7-oxo-5-triethylsilyloxyheptanoate
CID 134879224
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919061
ethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919062
ethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927880
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927881
Diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
CID 19904689
ethyl (4R,5S,6S)-7-butoxy-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxoheptanoate
CID 89380708
methyl 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-10-(2,2-dimethylpropanoyloxy)decyl]hexacosanoate
CID 90114889

Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The IUPAC name of [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate (CID 10618415) is [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C=O.
What is the InChIKey of [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The InChIKey is SGYHKTJNAQVMPA-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-8-24(9-2,10-3)23-17(16(4)15-20)13-11-12-14-22-18(21)19(5,6)7/h15-17H,8-14H2,1-7H3/t16-,17-/m1/s1.
What are the key properties of [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate has a molecular weight of 358.60 g/mol, XLogP of 4.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10618415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).