(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one

C14H20OSi — CID 24867780

IUPAC(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one
SMILESC/C=C(\C)C(=O)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-5-12(2)14(15)11-16(3,4)13-9-7-6-8-10-13/h5-10H,11H2,1-4H3/b12-5+
InChIKeyYDDPPSDEQUKYEV-LFYBBSHMSA-N
MW232.40 g/mol
LogP3.14
Rot. Bonds4

About (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one

(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one (PubChem CID 24867780) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one
PubChem CID24867780
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one
SMILESC/C=C(\C)C(=O)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-5-12(2)14(15)11-16(3,4)13-9-7-6-8-10-13/h5-10H,11H2,1-4H3/b12-5+
InChIKeyYDDPPSDEQUKYEV-LFYBBSHMSA-N
XLogP3.14
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 ≤ 53.14
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-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one?
The IUPAC name of (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one (CID 24867780) is (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one.
What is the SMILES notation for (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one?
The canonical SMILES for (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one is C/C=C(\C)C(=O)C[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one?
The InChIKey is YDDPPSDEQUKYEV-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H20OSi/c1-5-12(2)14(15)11-16(3,4)13-9-7-6-8-10-13/h5-10H,11H2,1-4H3/b12-5+.
What are the key properties of (E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one?
(E)-1-[dimethyl(phenyl)silyl]-3-methylpent-3-en-2-one has a molecular weight of 232.40 g/mol, XLogP of 3.14, 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]-3-methylpent-3-en-2-one is sourced from PubChem (CID 24867780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).