[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate

C14H26O3Si — CID 11579902

IUPAC[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C14H26O3Si/c1-9-13(15)17-12(11(2)3)10-16-18(7,8)14(4,5)6/h9,12H,1-2,10H2,3-8H3/t12-/m1/s1
InChIKeyPOFMWGJTWYTTFP-GFCCVEGCSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds6

About [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate

[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate (PubChem CID 11579902) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate
PubChem CID11579902
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C14H26O3Si/c1-9-13(15)17-12(11(2)3)10-16-18(7,8)14(4,5)6/h9,12H,1-2,10H2,3-8H3/t12-/m1/s1
InChIKeyPOFMWGJTWYTTFP-GFCCVEGCSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate?
The IUPAC name of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate (CID 11579902) is [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate.
What is the SMILES notation for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate?
The canonical SMILES for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate is C=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate?
The InChIKey is POFMWGJTWYTTFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9-13(15)17-12(11(2)3)10-16-18(7,8)14(4,5)6/h9,12H,1-2,10H2,3-8H3/t12-/m1/s1.
What are the key properties of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate?
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl] prop-2-enoate is sourced from PubChem (CID 11579902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).