(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one

C12H24OSi — CID 14361918

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+
InChIKeyOAZZLNRVCMVPEF-CMDGGOBGSA-N
MW212.41 g/mol
LogP3.82
Rot. Bonds3

About (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one

(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one (PubChem CID 14361918) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one
PubChem CID14361918
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+
InChIKeyOAZZLNRVCMVPEF-CMDGGOBGSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one (CID 14361918) is (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one is CC(C)/C=C/C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one?
The InChIKey is OAZZLNRVCMVPEF-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-10H,1-7H3/b9-8+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one?
(E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-one is sourced from PubChem (CID 14361918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).