ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate

C17H34O4Si — CID 134952080

IUPACethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
SMILESCCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H34O4Si/c1-9-20-16(19)11-15(14(3)10-13(2)12-18)21-22(7,8)17(4,5)6/h10,14-15,18H,9,11-12H2,1-8H3/b13-10-/t14-,15-/m1/s1
InChIKeyJUIMEWBPAGLMGQ-TZNPFNDMSA-N
MW330.54 g/mol
LogP3.90
Rot. Bonds8

About ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate

ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate (PubChem CID 134952080) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate.

Molecular Properties

Compound Nameethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
PubChem CID134952080
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
SMILESCCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H34O4Si/c1-9-20-16(19)11-15(14(3)10-13(2)12-18)21-22(7,8)17(4,5)6/h10,14-15,18H,9,11-12H2,1-8H3/b13-10-/t14-,15-/m1/s1
InChIKeyJUIMEWBPAGLMGQ-TZNPFNDMSA-N
XLogP3.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.90
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'}

Analyze ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate with MolForge

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Related Compounds

(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
CID 11500377
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
(E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyldec-2-ene-1,5-diol
CID 11728066
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate
CID 102331027
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
ethyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 11419586
[(2E,4R,5R,7E,9E,13S,14S)-14-[tert-butyl(dimethyl)silyl]oxy-13-carbamoyloxy-1-hydroxy-2,4,7-trimethylhexadeca-2,7,9,15-tetraen-5-yl] undec-10-enoate
CID 53342207

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate?
The IUPAC name of ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate (CID 134952080) is ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate.
What is the SMILES notation for ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate?
The canonical SMILES for ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate is CCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO.
What is the InChIKey of ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate?
The InChIKey is JUIMEWBPAGLMGQ-TZNPFNDMSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-20-16(19)11-15(14(3)10-13(2)12-18)21-22(7,8)17(4,5)6/h10,14-15,18H,9,11-12H2,1-8H3/b13-10-/t14-,15-/m1/s1.
What are the key properties of ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate?
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate has a molecular weight of 330.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate is sourced from PubChem (CID 134952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).