ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate

C16H32O3Si — CID 11012046

IUPACethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](C)O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-9-18-15(17)12-10-11-14(4)19-20(7,8)16(5,6)13(2)3/h10,12-14H,9,11H2,1-8H3/b12-10+/t14-/m1/s1
InChIKeyFHQMWJKLGZPVEJ-IEZBTEQYSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds8

About ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate

ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 11012046) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID11012046
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](C)O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-9-18-15(17)12-10-11-14(4)19-20(7,8)16(5,6)13(2)3/h10,12-14H,9,11H2,1-8H3/b12-10+/t14-/m1/s1
InChIKeyFHQMWJKLGZPVEJ-IEZBTEQYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate (CID 11012046) is ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate is CCOC(=O)/C=C/C[C@@H](C)O[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is FHQMWJKLGZPVEJ-IEZBTEQYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-18-15(17)12-10-11-14(4)19-20(7,8)16(5,6)13(2)3/h10,12-14H,9,11H2,1-8H3/b12-10+/t14-/m1/s1.
What are the key properties of ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate?
ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 11012046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).