tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane

C18H34O4Si — CID 10569346

IUPACtert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1O[C@@H]1C/C=C\CCC1OCCO1
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)21-12-11-16-15(22-16)9-7-6-8-10-17-19-13-14-20-17/h6-7,15-17H,8-14H2,1-5H3/b7-6-/t15-,16+/m1/s1
InChIKeyXQRVNVVUBCVOBH-UWUBPMADSA-N
MW342.55 g/mol
LogP4.27
Rot. Bonds9

About tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane (PubChem CID 10569346) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane
PubChem CID10569346
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1O[C@@H]1C/C=C\CCC1OCCO1
InChIInChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)21-12-11-16-15(22-16)9-7-6-8-10-17-19-13-14-20-17/h6-7,15-17H,8-14H2,1-5H3/b7-6-/t15-,16+/m1/s1
InChIKeyXQRVNVVUBCVOBH-UWUBPMADSA-N
XLogP4.27
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane (CID 10569346) is tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC[C@@H]1O[C@@H]1C/C=C\CCC1OCCO1.
What is the InChIKey of tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane?
The InChIKey is XQRVNVVUBCVOBH-UWUBPMADSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-18(2,3)23(4,5)21-12-11-16-15(22-16)9-7-6-8-10-17-19-13-14-20-17/h6-7,15-17H,8-14H2,1-5H3/b7-6-/t15-,16+/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane has a molecular weight of 342.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,3R)-3-[(Z)-5-(1,3-dioxolan-2-yl)pent-2-enyl]oxiran-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 10569346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).