(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one

C16H28O3Si — CID 25233716

IUPAC(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C[C@H]1C/C(=C\CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H28O3Si/c1-12(2)10-14-11-13(15(17)19-14)8-9-18-20(6,7)16(3,4)5/h8,10,14H,9,11H2,1-7H3/b13-8+/t14-/m0/s1
InChIKeyZXMXCTRQOFGQBC-CZAWJFPGSA-N
MW296.48 g/mol
LogP4.22
Rot. Bonds4

About (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one

(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one (PubChem CID 25233716) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one.

Molecular Properties

Compound Name(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
PubChem CID25233716
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C[C@H]1C/C(=C\CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C16H28O3Si/c1-12(2)10-14-11-13(15(17)19-14)8-9-18-20(6,7)16(3,4)5/h8,10,14H,9,11H2,1-7H3/b13-8+/t14-/m0/s1
InChIKeyZXMXCTRQOFGQBC-CZAWJFPGSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.22
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 (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one?
The IUPAC name of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one (CID 25233716) is (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one.
What is the SMILES notation for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one?
The canonical SMILES for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one is CC(C)=C[C@H]1C/C(=C\CO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one?
The InChIKey is ZXMXCTRQOFGQBC-CZAWJFPGSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-12(2)10-14-11-13(15(17)19-14)8-9-18-20(6,7)16(3,4)5/h8,10,14H,9,11H2,1-7H3/b13-8+/t14-/m0/s1.
What are the key properties of (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one?
(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one has a molecular weight of 296.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one is sourced from PubChem (CID 25233716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).