ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate

C15H30O4Si — CID 11601886

IUPACethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\CO
InChIInChI=1S/C15H30O4Si/c1-6-18-15(17)12-14(13(5)10-11-16)19-20(7-2,8-3)9-4/h10,14,16H,6-9,11-12H2,1-5H3/b13-10-
InChIKeyJEYCJYMJAPKYOD-RAXLEYEMSA-N
MW302.49 g/mol
LogP3.27
Rot. Bonds10

About ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate

ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate (PubChem CID 11601886) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate
PubChem CID11601886
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate
SMILESCCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\CO
InChIInChI=1S/C15H30O4Si/c1-6-18-15(17)12-14(13(5)10-11-16)19-20(7-2,8-3)9-4/h10,14,16H,6-9,11-12H2,1-5H3/b13-10-
InChIKeyJEYCJYMJAPKYOD-RAXLEYEMSA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327644
ethyl (3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327646
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
7-Hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid
CID 72683382
(Z,3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioic acid
CID 87900781
(Z,3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioic acid
CID 87900962
dimethyl (3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
CID 90768108
dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
CID 91064170
Ethyl 3-hydroxy-4-methylhex-4-enoate
CID 5166109
3-Hydroxy-4-methyl-hex-4-enoic acid ethyl ester
CID 6289194
methyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10266145

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The IUPAC name of ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate (CID 11601886) is ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate.
What is the SMILES notation for ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The canonical SMILES for ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate is CCOC(=O)CC(O[Si](CC)(CC)CC)/C(C)=C\CO.
What is the InChIKey of ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
The InChIKey is JEYCJYMJAPKYOD-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-6-18-15(17)12-14(13(5)10-11-16)19-20(7-2,8-3)9-4/h10,14,16H,6-9,11-12H2,1-5H3/b13-10-.
What are the key properties of ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate?
ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate has a molecular weight of 302.49 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate is sourced from PubChem (CID 11601886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).