ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate

C16H32O3Si — CID 5468978

IUPACethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@H](O[Si](CC)(CC)CC)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-15(17)13-12-14(16(5,6)7)19-20(9-2,10-3)11-4/h12-14H,8-11H2,1-7H3/b13-12+/t14-/m0/s1
InChIKeyCRNOYZWUXYOPSW-FNDVETGQSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds8

About ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate

ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate (PubChem CID 5468978) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
PubChem CID5468978
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@H](O[Si](CC)(CC)CC)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-15(17)13-12-14(16(5,6)7)19-20(9-2,10-3)11-4/h12-14H,8-11H2,1-7H3/b13-12+/t14-/m0/s1
InChIKeyCRNOYZWUXYOPSW-FNDVETGQSA-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)-5,5-dimethyl-4-tri(propan-2-yl)silyloxyoct-2-en-7-ynoate
CID 10893905
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enoate
CID 135014806
ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
ethyl 4-hydroxyhex-2-enoate
CID 568162
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
ethyl 4-bromohex-2-enoate
CID 54551136
ethyl (E)-4-bromohex-2-enoate
CID 15382776
ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
CID 135020746
ethyl (E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 10084564

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate?
The IUPAC name of ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate (CID 5468978) is ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate.
What is the SMILES notation for ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate?
The canonical SMILES for ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate is CCOC(=O)/C=C/[C@H](O[Si](CC)(CC)CC)C(C)(C)C.
What is the InChIKey of ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate?
The InChIKey is CRNOYZWUXYOPSW-FNDVETGQSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-18-15(17)13-12-14(16(5,6)7)19-20(9-2,10-3)11-4/h12-14H,8-11H2,1-7H3/b13-12+/t14-/m0/s1.
What are the key properties of ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate?
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-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,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate is sourced from PubChem (CID 5468978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).