dichloro-methyl-(1-phenylbut-3-en-2-yl)silane

C11H14Cl2Si — CID 139671887

IUPACdichloro-methyl-(1-phenylbut-3-en-2-yl)silane
SMILESC=CC(Cc1ccccc1)[Si](C)(Cl)Cl
InChIInChI=1S/C11H14Cl2Si/c1-3-11(14(2,12)13)9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3
InChIKeyODXFBQNBCHFZOC-UHFFFAOYSA-N
MW245.23 g/mol
LogP4.33
Rot. Bonds4

About dichloro-methyl-(1-phenylbut-3-en-2-yl)silane

dichloro-methyl-(1-phenylbut-3-en-2-yl)silane (PubChem CID 139671887) has the molecular formula C11H14Cl2Si and a molecular weight of 245.23 g/mol. Its IUPAC name is dichloro-methyl-(1-phenylbut-3-en-2-yl)silane.

Molecular Properties

Compound Namedichloro-methyl-(1-phenylbut-3-en-2-yl)silane
PubChem CID139671887
Molecular FormulaC11H14Cl2Si
Molecular Weight245.23 g/mol
Exact Mass244.02
IUPAC Namedichloro-methyl-(1-phenylbut-3-en-2-yl)silane
SMILESC=CC(Cc1ccccc1)[Si](C)(Cl)Cl
InChIInChI=1S/C11H14Cl2Si/c1-3-11(14(2,12)13)9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3
InChIKeyODXFBQNBCHFZOC-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trichloro(1-phenylbut-3-en-2-yl)silane
CID 21185625
benzyl-chloro-ethenyl-methylsilane
CID 12617019
chloro-dimethyl-(1-phenylprop-2-enyl)silane
CID 21185613
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
3-ethenyl-1-phenylhexan-2-ol
CID 101129248
2-phenyl-1-trimethylsilylethanethiol
CID 3849322
2-benzylbut-3-enoyl chloride
CID 11287032
(2S)-2-benzylbut-3-en-1-ol
CID 11084196
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
N-(1-phenylbut-3-en-2-yl)methanimine
CID 163597211

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-(1-phenylbut-3-en-2-yl)silane?
The IUPAC name of dichloro-methyl-(1-phenylbut-3-en-2-yl)silane (CID 139671887) is dichloro-methyl-(1-phenylbut-3-en-2-yl)silane.
What is the SMILES notation for dichloro-methyl-(1-phenylbut-3-en-2-yl)silane?
The canonical SMILES for dichloro-methyl-(1-phenylbut-3-en-2-yl)silane is C=CC(Cc1ccccc1)[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-methyl-(1-phenylbut-3-en-2-yl)silane?
The InChIKey is ODXFBQNBCHFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2Si/c1-3-11(14(2,12)13)9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3.
What are the key properties of dichloro-methyl-(1-phenylbut-3-en-2-yl)silane?
dichloro-methyl-(1-phenylbut-3-en-2-yl)silane has a molecular weight of 245.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(1-phenylbut-3-en-2-yl)silane is sourced from PubChem (CID 139671887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).