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

C13H24O3Si — CID 10658762

IUPACprop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)C=C)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-9-16-13(15)12(11(14)8-2)10(3)17(4,5)6/h7-8,10-12,14H,1-2,9H2,3-6H3/t10-,11-,12+/m1/s1
InChIKeyRPHOPYPWSHWBGJ-UTUOFQBUSA-N
MW256.42 g/mol
LogP2.61
Rot. Bonds7

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

prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate (PubChem CID 10658762) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
PubChem CID10658762
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameprop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)C=C)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-9-16-13(15)12(11(14)8-2)10(3)17(4,5)6/h7-8,10-12,14H,1-2,9H2,3-6H3/t10-,11-,12+/m1/s1
InChIKeyRPHOPYPWSHWBGJ-UTUOFQBUSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.61
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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Related Compounds

prop-2-enyl 2-aminopropanoate
CID 91515395
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
CID 58877383
CID 58877383
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
prop-2-enyl 3-hydroxybutanoate
CID 14360290
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The IUPAC name of prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate (CID 10658762) is prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate.
What is the SMILES notation for prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The canonical SMILES for prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate is C=CCOC(=O)[C@H]([C@H](O)C=C)[C@@H](C)[Si](C)(C)C.
What is the InChIKey of prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The InChIKey is RPHOPYPWSHWBGJ-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-9-16-13(15)12(11(14)8-2)10(3)17(4,5)6/h7-8,10-12,14H,1-2,9H2,3-6H3/t10-,11-,12+/m1/s1.
What are the key properties of prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate has a molecular weight of 256.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate is sourced from PubChem (CID 10658762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).