(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one

C17H34O2Si2 — CID 101347822

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C/C1OC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-16(2,3)20(7,8)14(18)12-11-13-15(19-13)21(9,10)17(4,5)6/h11-13,15H,1-10H3/b12-11+
InChIKeyDMRUPYKYJLRZHE-VAWYXSNFSA-N
MW326.63 g/mol
LogP4.97
Rot. Bonds4

About (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one

(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one (PubChem CID 101347822) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one
PubChem CID101347822
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C/C1OC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-16(2,3)20(7,8)14(18)12-11-13-15(19-13)21(9,10)17(4,5)6/h11-13,15H,1-10H3/b12-11+
InChIKeyDMRUPYKYJLRZHE-VAWYXSNFSA-N
XLogP4.97
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one (CID 101347822) is (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one is CC(C)(C)[Si](C)(C)C(=O)/C=C/C1OC1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one?
The InChIKey is DMRUPYKYJLRZHE-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-16(2,3)20(7,8)14(18)12-11-13-15(19-13)21(9,10)17(4,5)6/h11-13,15H,1-10H3/b12-11+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one?
(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one has a molecular weight of 326.63 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one is sourced from PubChem (CID 101347822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).