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

C15H28O3Si — CID 101272505

IUPACprop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CCOC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-11-17-14(16)12(3)13(10-2)18-19(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13+/m0/s1
InChIKeyQRYXLXWHEMZAFV-QWHCGFSZSA-N
MW284.47 g/mol
LogP3.93
Rot. Bonds7

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

prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (PubChem CID 101272505) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
PubChem CID101272505
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameprop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CCOC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-11-17-14(16)12(3)13(10-2)18-19(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13+/m0/s1
InChIKeyQRYXLXWHEMZAFV-QWHCGFSZSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.93
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

tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
CID 134870694
(3R,4S)-4-ethenyl-3-[(1S)-1-trimethylsilylethyl]oxetan-2-one
CID 134898159
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047
Ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
CID 138975864
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
ethyl 2-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]acrylate
CID 11108029

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The IUPAC name of prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (CID 101272505) is prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.
What is the SMILES notation for prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The canonical SMILES for prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is C=CCOC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The InChIKey is QRYXLXWHEMZAFV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-11-17-14(16)12(3)13(10-2)18-19(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13+/m0/s1.
What are the key properties of prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate has a molecular weight of 284.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is sourced from PubChem (CID 101272505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).