but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate

C16H30O3Si — CID 101272506

IUPACbut-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CC(C)OC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-10-12(3)18-15(17)13(4)14(11-2)19-20(8,9)16(5,6)7/h10-14H,1-2H2,3-9H3/t12?,13-,14+/m0/s1
InChIKeyDTQGGPGZNOUDNU-KFTPUPIBSA-N
MW298.50 g/mol
LogP4.32
Rot. Bonds7

About but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate

but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (PubChem CID 101272506) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.

Molecular Properties

Compound Namebut-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
PubChem CID101272506
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namebut-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CC(C)OC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-10-12(3)18-15(17)13(4)14(11-2)19-20(8,9)16(5,6)7/h10-14H,1-2H2,3-9H3/t12?,13-,14+/m0/s1
InChIKeyDTQGGPGZNOUDNU-KFTPUPIBSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.32
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-(3-(triethoxysilyl)allyl)malonate
CID 129695873
[(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
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
[(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
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The IUPAC name of but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (CID 101272506) is but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.
What is the SMILES notation for but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The canonical SMILES for but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is C=CC(C)OC(=O)[C@@H](C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The InChIKey is DTQGGPGZNOUDNU-KFTPUPIBSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-10-12(3)18-15(17)13(4)14(11-2)19-20(8,9)16(5,6)7/h10-14H,1-2H2,3-9H3/t12?,13-,14+/m0/s1.
What are the key properties of but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is sourced from PubChem (CID 101272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).