methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate

C16H24O3Si — CID 101058397

IUPACmethyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-6-10-14(16(17)18-2)15(19-20(3,4)5)13-11-8-7-9-12-13/h6-9,11-12,14-15H,1,10H2,2-5H3/t14-,15+/m1/s1
InChIKeyROIVDDDFYBCFRE-CABCVRRESA-N
MW292.45 g/mol
LogP3.94
Rot. Bonds7

About methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate

methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate (PubChem CID 101058397) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
PubChem CID101058397
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Namemethyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-6-10-14(16(17)18-2)15(19-20(3,4)5)13-11-8-7-9-12-13/h6-9,11-12,14-15H,1,10H2,2-5H3/t14-,15+/m1/s1
InChIKeyROIVDDDFYBCFRE-CABCVRRESA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
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

methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
methyl (2S)-2-[(R)-(dibenzylamino)-phenylmethyl]pent-4-enoate
CID 139191551
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
methyl (2S)-2-[(1S)-1-[(2-phenylacetyl)amino]ethyl]pent-4-enoate
CID 10660019
methyl 2-[1-[(E)-3-phenylprop-2-enoyl]oxyethyl]pent-4-enoate
CID 69305030
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl (2S)-2-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]pent-4-enoate
CID 11323799
(2-methyl-1-phenylpent-4-enyl) acetate
CID 171782588
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087
methyl (2S)-2-(phenylmethoxycarbamoyl)pent-4-enoate
CID 91321403

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate?
The IUPAC name of methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate (CID 101058397) is methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate is C=CC[C@@H](C(=O)OC)[C@@H](O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate?
The InChIKey is ROIVDDDFYBCFRE-CABCVRRESA-N. The full InChI is InChI=1S/C16H24O3Si/c1-6-10-14(16(17)18-2)15(19-20(3,4)5)13-11-8-7-9-12-13/h6-9,11-12,14-15H,1,10H2,2-5H3/t14-,15+/m1/s1.
What are the key properties of methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate?
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate has a molecular weight of 292.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate is sourced from PubChem (CID 101058397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).