ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate

C17H34O4Si — CID 101498298

IUPACethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
SMILESCCOC(=O)[C@H](O)[C@H](/C=C\C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-20-15(19)14(18)13(11-12-16(2,3)4)21-22(8,9)17(5,6)7/h11-14,18H,10H2,1-9H3/b12-11-/t13-,14+/m0/s1
InChIKeyZFPGKNTVHLIEPV-BFPJXGRPSA-N
MW330.54 g/mol
LogP3.90
Rot. Bonds6

About ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate

ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate (PubChem CID 101498298) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate.

Molecular Properties

Compound Nameethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
PubChem CID101498298
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
SMILESCCOC(=O)[C@H](O)[C@H](/C=C\C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-20-15(19)14(18)13(11-12-16(2,3)4)21-22(8,9)17(5,6)7/h11-14,18H,10H2,1-9H3/b12-11-/t13-,14+/m0/s1
InChIKeyZFPGKNTVHLIEPV-BFPJXGRPSA-N
XLogP3.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (2S,3R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxy-4-phenylmethoxyhept-6-enoate
CID 102125508
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
ethyl (E,7R)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3-dihydroxy-4-(2-hydroxyethyl)oct-4-enoate
CID 135010741
[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
CID 6367320

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate?
The IUPAC name of ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate (CID 101498298) is ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate.
What is the SMILES notation for ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate?
The canonical SMILES for ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate is CCOC(=O)[C@H](O)[C@H](/C=C\C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate?
The InChIKey is ZFPGKNTVHLIEPV-BFPJXGRPSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-20-15(19)14(18)13(11-12-16(2,3)4)21-22(8,9)17(5,6)7/h11-14,18H,10H2,1-9H3/b12-11-/t13-,14+/m0/s1.
What are the key properties of ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate?
ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate has a molecular weight of 330.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate is sourced from PubChem (CID 101498298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).