(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol

C18H22O2Si — CID 15645076

IUPAC(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol
SMILESCO/C(O)=C/C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/b18-14+
InChIKeyDQQJLSHEACBARE-NBVRZTHBSA-N
MW298.46 g/mol
LogP3.97
Rot. Bonds5

About (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol

(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol (PubChem CID 15645076) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol
PubChem CID15645076
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol
SMILESCO/C(O)=C/C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/b18-14+
InChIKeyDQQJLSHEACBARE-NBVRZTHBSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
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'}

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Related Compounds

lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate
CID 135000504
(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
CID 135060755
1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane
CID 78156504
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one
CID 135063035
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl] benzoate
CID 154721488

Frequently Asked Questions

What is the IUPAC name of (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol?
The IUPAC name of (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol (CID 15645076) is (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol.
What is the SMILES notation for (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol?
The canonical SMILES for (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol is CO/C(O)=C/C(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol?
The InChIKey is DQQJLSHEACBARE-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-20-18(19)14-17(15-10-6-4-7-11-15)21(2,3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/b18-14+.
What are the key properties of (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol?
(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol has a molecular weight of 298.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol is sourced from PubChem (CID 15645076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).