(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one

C13H24O3Si — CID 10956196

IUPAC(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
SMILESC[C@H]1C/C(=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C13H24O3Si/c1-10-9-11(12(14)16-10)7-8-15-17(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/b11-7-/t10-/m0/s1
InChIKeyVZZUKCXTJRDMJX-QBQSQJOESA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one

(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one (PubChem CID 10956196) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
PubChem CID10956196
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
SMILESC[C@H]1C/C(=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C13H24O3Si/c1-10-9-11(12(14)16-10)7-8-15-17(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/b11-7-/t10-/m0/s1
InChIKeyVZZUKCXTJRDMJX-QBQSQJOESA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one?
The IUPAC name of (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one (CID 10956196) is (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one.
What is the SMILES notation for (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one?
The canonical SMILES for (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one is C[C@H]1C/C(=C/CO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one?
The InChIKey is VZZUKCXTJRDMJX-QBQSQJOESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-10-9-11(12(14)16-10)7-8-15-17(5,6)13(2,3)4/h7,10H,8-9H2,1-6H3/b11-7-/t10-/m0/s1.
What are the key properties of (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one?
(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one is sourced from PubChem (CID 10956196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).