phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate

C19H30O4Si — CID 24755019

IUPACphenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)Oc1ccccc1
InChIInChI=1S/C19H30O4Si/c1-14(2)16(23-24(7,8)19(3,4)5)17(21-6)18(20)22-15-12-10-9-11-13-15/h9-13,16-17H,1H2,2-8H3/t16-,17+/m0/s1
InChIKeyWBBJXNUVISJDNF-DLBZAZTESA-N
MW350.53 g/mol
LogP4.57
Rot. Bonds7

About phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate

phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate (PubChem CID 24755019) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate.

Molecular Properties

Compound Namephenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate
PubChem CID24755019
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namephenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)Oc1ccccc1
InChIInChI=1S/C19H30O4Si/c1-14(2)16(23-24(7,8)19(3,4)5)17(21-6)18(20)22-15-12-10-9-11-13-15/h9-13,16-17H,1H2,2-8H3/t16-,17+/m0/s1
InChIKeyWBBJXNUVISJDNF-DLBZAZTESA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpent-4-ynoate
CID 10862764
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
phenyl 2-fluoro-3,3-dimethylbutanoate
CID 139826816
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
CID 11163883
phenyl (2S)-2-methoxypropanoate
CID 12621314
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
(2,4,6-trimethylphenyl) (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyanilino)-5-phenylpentanoate
CID 15531382
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
phenyl 2-(hydroxyamino)propanoate
CID 88707618

Frequently Asked Questions

What is the IUPAC name of phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate?
The IUPAC name of phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate (CID 24755019) is phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate.
What is the SMILES notation for phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate?
The canonical SMILES for phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate?
The InChIKey is WBBJXNUVISJDNF-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30O4Si/c1-14(2)16(23-24(7,8)19(3,4)5)17(21-6)18(20)22-15-12-10-9-11-13-15/h9-13,16-17H,1H2,2-8H3/t16-,17+/m0/s1.
What are the key properties of phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate?
phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate has a molecular weight of 350.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate is sourced from PubChem (CID 24755019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).