ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate

C13H24O4Si — CID 12035786

IUPACethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C)C(=O)CC(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-7-10(3)13(17-18(4,5)6)11(14)9-12(15)16-8-2/h7,10,13H,1,8-9H2,2-6H3/t10-,13-/m1/s1
InChIKeyQEMYEEHMQMMEQG-ZWNOBZJWSA-N
MW272.42 g/mol
LogP2.55
Rot. Bonds8

About ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate

ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate (PubChem CID 12035786) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate.

Molecular Properties

Compound Nameethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate
PubChem CID12035786
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Nameethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C)C(=O)CC(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-7-10(3)13(17-18(4,5)6)11(14)9-12(15)16-8-2/h7,10,13H,1,8-9H2,2-6H3/t10-,13-/m1/s1
InChIKeyQEMYEEHMQMMEQG-ZWNOBZJWSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methoxy-5-methyl-3-oxohexanoate
CID 116728028
ethyl (3R)-3-methylpent-4-enoate
CID 173481995
ethyl 2,3-dimethylpent-4-enoate
CID 13254527
ethyl (4S)-4-methyl-3-oxohexanoate
CID 58970620
ethyl (4S)-4,5-dimethyl-3-oxohexanoate
CID 118282267
ethyl 4-methyl-3,5-dioxoheptanoate
CID 169440232
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991
ethyl 4,6-dimethyl-3-oxoheptanoate
CID 174479071
ethyl 2-fluoro-3-methylpent-4-enoate
CID 86259333
CID 118525431
CID 118525431
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
diethyl propanedioate;titanium
CID 174779178

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate?
The IUPAC name of ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate (CID 12035786) is ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate.
What is the SMILES notation for ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate?
The canonical SMILES for ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate is C=C[C@@H](C)[C@@H](O[Si](C)(C)C)C(=O)CC(=O)OCC.
What is the InChIKey of ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate?
The InChIKey is QEMYEEHMQMMEQG-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-7-10(3)13(17-18(4,5)6)11(14)9-12(15)16-8-2/h7,10,13H,1,8-9H2,2-6H3/t10-,13-/m1/s1.
What are the key properties of ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate?
ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate has a molecular weight of 272.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate is sourced from PubChem (CID 12035786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).