(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one

C14H20OSi — CID 23649548

IUPAC(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-12(2)14(15)10-11-16(3,4)13-8-6-5-7-9-13/h5-12H,1-4H3/b11-10+
InChIKeyRXHYOEWRHBTWFS-ZHACJKMWSA-N
MW232.40 g/mol
LogP2.92
Rot. Bonds4

About (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one

(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one (PubChem CID 23649548) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
PubChem CID23649548
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-12(2)14(15)10-11-16(3,4)13-8-6-5-7-9-13/h5-12H,1-4H3/b11-10+
InChIKeyRXHYOEWRHBTWFS-ZHACJKMWSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.92
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-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
CID 177387999
(E)-1-[dimethyl(phenyl)silyl]oct-1-en-7-yn-3-one
CID 134959785
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
1-[4-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethanone
CID 11652058
trichloro-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]silane
CID 23269562
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
CID 10514612
(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
CID 11775664
dimethyl-[(1Z,5Z)-7-methyl-4-methylideneocta-1,5-dienyl]-phenylsilane
CID 11086845
(E,2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 139263768
[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945

Frequently Asked Questions

What is the IUPAC name of (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one?
The IUPAC name of (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one (CID 23649548) is (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one.
What is the SMILES notation for (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one?
The canonical SMILES for (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one is CC(C)C(=O)/C=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one?
The InChIKey is RXHYOEWRHBTWFS-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H20OSi/c1-12(2)14(15)10-11-16(3,4)13-8-6-5-7-9-13/h5-12H,1-4H3/b11-10+.
What are the key properties of (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one?
(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one has a molecular weight of 232.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one is sourced from PubChem (CID 23649548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).