(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one

C12H24O2Si — CID 121003101

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one
SMILESCC(=O)C/C(C)=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h9H,8H2,1-7H3/b10-9+
InChIKeyIOIGEMOMYOMYJQ-MDZDMXLPSA-N
MW228.41 g/mol
LogP3.89
Rot. Bonds4

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one

(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one (PubChem CID 121003101) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one
PubChem CID121003101
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one
SMILESCC(=O)C/C(C)=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h9H,8H2,1-7H3/b10-9+
InChIKeyIOIGEMOMYOMYJQ-MDZDMXLPSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(Z)-2-trimethylsilyloxyprop-1-enoxy]silane
CID 90756977
lithium (Z)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxyethenolate
CID 101062901
3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid
CID 90919291
(E)-4,6,6-trimethylhept-4-en-2-one
CID 12956011
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
CID 154478737
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
CID 102348097
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one (CID 121003101) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one is CC(=O)C/C(C)=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one?
The InChIKey is IOIGEMOMYOMYJQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10(8-11(2)13)9-14-15(6,7)12(3,4)5/h9H,8H2,1-7H3/b10-9+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one has a molecular weight of 228.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one is sourced from PubChem (CID 121003101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).