prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate

C14H26O3Si — CID 10707199

IUPACprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-9-12(15)13(11(3)18(4,5)6)14(16)17-10-8-2/h7-9,11-13,15H,2,10H2,1,3-6H3/b9-7+/t11-,12-,13+/m1/s1
InChIKeyHLIIYAZPYOOUOS-RHQFPOTISA-N
MW270.44 g/mol
LogP3.00
Rot. Bonds7

About prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate

prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate (PubChem CID 10707199) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate
PubChem CID10707199
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-9-12(15)13(11(3)18(4,5)6)14(16)17-10-8-2/h7-9,11-13,15H,2,10H2,1,3-6H3/b9-7+/t11-,12-,13+/m1/s1
InChIKeyHLIIYAZPYOOUOS-RHQFPOTISA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate?
The IUPAC name of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate (CID 10707199) is prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate.
What is the SMILES notation for prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate?
The canonical SMILES for prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate is C=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C)[Si](C)(C)C.
What is the InChIKey of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate?
The InChIKey is HLIIYAZPYOOUOS-RHQFPOTISA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-9-12(15)13(11(3)18(4,5)6)14(16)17-10-8-2/h7-9,11-13,15H,2,10H2,1,3-6H3/b9-7+/t11-,12-,13+/m1/s1.
What are the key properties of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate?
prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate is sourced from PubChem (CID 10707199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).