ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate

C14H28O4Si — CID 101498297

IUPACethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
SMILESC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)OCC
InChIInChI=1S/C14H28O4Si/c1-8-10-11(12(15)13(16)17-9-2)18-19(6,7)14(3,4)5/h8,10-12,15H,9H2,1-7H3/b10-8-/t11-,12-/m0/s1
InChIKeyCSDVOJHSQYVIBQ-RVWWTBQBSA-N
MW288.46 g/mol
LogP2.88
Rot. Bonds6

About ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate

ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate (PubChem CID 101498297) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
PubChem CID101498297
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
SMILESC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)OCC
InChIInChI=1S/C14H28O4Si/c1-8-10-11(12(15)13(16)17-9-2)18-19(6,7)14(3,4)5/h8,10-12,15H,9H2,1-7H3/b10-8-/t11-,12-/m0/s1
InChIKeyCSDVOJHSQYVIBQ-RVWWTBQBSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.88
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,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
CID 101498298
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
[(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
N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
CID 73178317
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
methyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)hex-4-enoate
CID 10926723
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate?
The IUPAC name of ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate (CID 101498297) is ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate.
What is the SMILES notation for ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate?
The canonical SMILES for ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate is C/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)OCC.
What is the InChIKey of ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate?
The InChIKey is CSDVOJHSQYVIBQ-RVWWTBQBSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-10-11(12(15)13(16)17-9-2)18-19(6,7)14(3,4)5/h8,10-12,15H,9H2,1-7H3/b10-8-/t11-,12-/m0/s1.
What are the key properties of ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate?
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate is sourced from PubChem (CID 101498297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).