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

C16H30O3Si — CID 10518214

IUPACprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C(C)C)[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-10-13(17)14(16(18)19-11-9-2)15(12(3)4)20(5,6)7/h8-10,12-15,17H,2,11H2,1,3-7H3/b10-8+/t13-,14-,15-/m1/s1
InChIKeyQVRGZUTVIMCWKK-ICFHNOQGSA-N
MW298.50 g/mol
LogP3.63
Rot. Bonds8

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

prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate (PubChem CID 10518214) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate
PubChem CID10518214
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameprop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C(C)C)[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-10-13(17)14(16(18)19-11-9-2)15(12(3)4)20(5,6)7/h8-10,12-15,17H,2,11H2,1,3-7H3/b10-8+/t13-,14-,15-/m1/s1
InChIKeyQVRGZUTVIMCWKK-ICFHNOQGSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.63
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)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate?
The IUPAC name of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate (CID 10518214) is prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate.
What is the SMILES notation for prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate?
The canonical SMILES for prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate is C=CCOC(=O)[C@H]([C@H](O)/C=C/C)[C@@H](C(C)C)[Si](C)(C)C.
What is the InChIKey of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate?
The InChIKey is QVRGZUTVIMCWKK-ICFHNOQGSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-8-10-13(17)14(16(18)19-11-9-2)15(12(3)4)20(5,6)7/h8-10,12-15,17H,2,11H2,1,3-7H3/b10-8+/t13-,14-,15-/m1/s1.
What are the key properties of prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate?
prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 3.63, 8 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)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate is sourced from PubChem (CID 10518214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).