(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one

C13H24O3Si — CID 99771677

IUPAC(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one
SMILESC/C=C1\C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C13H24O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h7,11H,8-9H2,1-6H3/b10-7+/t11-/m0/s1
InChIKeyROEKRKZGZFWORT-HUYFXPKMSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one

(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one (PubChem CID 99771677) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one.

Molecular Properties

Compound Name(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one
PubChem CID99771677
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one
SMILESC/C=C1\C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C13H24O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h7,11H,8-9H2,1-6H3/b10-7+/t11-/m0/s1
InChIKeyROEKRKZGZFWORT-HUYFXPKMSA-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 (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one?
The IUPAC name of (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one (CID 99771677) is (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one.
What is the SMILES notation for (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one?
The canonical SMILES for (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one is C/C=C1\C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one?
The InChIKey is ROEKRKZGZFWORT-HUYFXPKMSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10-8-11(16-12(10)14)9-15-17(5,6)13(2,3)4/h7,11H,8-9H2,1-6H3/b10-7+/t11-/m0/s1.
What are the key properties of (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one?
(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-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 (3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one is sourced from PubChem (CID 99771677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).