(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one

C10H20OSi — CID 10511716

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one
SMILESCC(=O)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h7-8H,1-6H3/b8-7+
InChIKeyIVFLCVFLAZLCCR-BQYQJAHWSA-N
MW184.35 g/mol
LogP3.18
Rot. Bonds2

About (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one

(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one (PubChem CID 10511716) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one
PubChem CID10511716
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one
SMILESCC(=O)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h7-8H,1-6H3/b8-7+
InChIKeyIVFLCVFLAZLCCR-BQYQJAHWSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.18
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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Related Compounds

[(E)-3-[tert-butyl(dimethyl)silyl]-1-methoxyprop-2-enylidene]chromium
CID 12063120
(E)-hex-3-ene-2,5-dione
CID 5363639
(Z)-5,5-dimethylhex-3-en-2-one
CID 59028439
[(E)-3-[tert-butyl(dimethyl)silyl]-1-methoxyprop-2-enylidene]chromium;carbon monoxide
CID 134876196
(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one
CID 10964920
tert-butyl-[(E)-3-[tert-butyl(dimethyl)silyl]prop-1-enyl]-dimethylsilane
CID 12977713
5-tert-butyl-7,7-dimethylocta-3,5-dien-2-one
CID 71424970
ethyl (E,2R)-4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-enoate
CID 125476530
(E)-5,5,6,6-tetramethylhept-3-en-2-one
CID 12612667
3-bromoprop-1-enyl-tert-butyl-dimethylsilane
CID 71422698
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
pent-3-en-2-one
CID 12248

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one (CID 10511716) is (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one is CC(=O)/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one?
The InChIKey is IVFLCVFLAZLCCR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20OSi/c1-9(11)7-8-12(5,6)10(2,3)4/h7-8H,1-6H3/b8-7+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one?
(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one has a molecular weight of 184.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one is sourced from PubChem (CID 10511716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).