trichloro(1-phenylbut-3-en-2-yl)silane

C10H11Cl3Si — CID 21185625

IUPACtrichloro(1-phenylbut-3-en-2-yl)silane
SMILESC=CC(Cc1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3Si/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyVVRKOUQZIAMTDH-UHFFFAOYSA-N
MW265.64 g/mol
LogP4.44
Rot. Bonds4

About trichloro(1-phenylbut-3-en-2-yl)silane

trichloro(1-phenylbut-3-en-2-yl)silane (PubChem CID 21185625) has the molecular formula C10H11Cl3Si and a molecular weight of 265.64 g/mol. Its IUPAC name is trichloro(1-phenylbut-3-en-2-yl)silane.

Molecular Properties

Compound Nametrichloro(1-phenylbut-3-en-2-yl)silane
PubChem CID21185625
Molecular FormulaC10H11Cl3Si
Molecular Weight265.64 g/mol
Exact Mass263.97
IUPAC Nametrichloro(1-phenylbut-3-en-2-yl)silane
SMILESC=CC(Cc1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3Si/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyVVRKOUQZIAMTDH-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 54.44
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

dichloro-methyl-(1-phenylbut-3-en-2-yl)silane
CID 139671887
2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
2-benzylbut-3-enoyl chloride
CID 11287032
N-(1-phenylbut-3-en-2-yl)methanimine
CID 163597211
(2S)-2-benzylbut-3-en-1-ol
CID 11084196
trichloro-(1-methoxy-2-phenylethyl)silane
CID 67232088
triphenyl(1-phenylbut-3-en-2-yl)stannane
CID 67742477
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
N,1-dichloro-2-phenylethanamine
CID 87755086
3-ethenyl-1-phenylhexan-2-ol
CID 101129248
(3R)-3-benzylpent-4-enoic acid
CID 124641906

Frequently Asked Questions

What is the IUPAC name of trichloro(1-phenylbut-3-en-2-yl)silane?
The IUPAC name of trichloro(1-phenylbut-3-en-2-yl)silane (CID 21185625) is trichloro(1-phenylbut-3-en-2-yl)silane.
What is the SMILES notation for trichloro(1-phenylbut-3-en-2-yl)silane?
The canonical SMILES for trichloro(1-phenylbut-3-en-2-yl)silane is C=CC(Cc1ccccc1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(1-phenylbut-3-en-2-yl)silane?
The InChIKey is VVRKOUQZIAMTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3Si/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9/h2-7,10H,1,8H2.
What are the key properties of trichloro(1-phenylbut-3-en-2-yl)silane?
trichloro(1-phenylbut-3-en-2-yl)silane has a molecular weight of 265.64 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(1-phenylbut-3-en-2-yl)silane is sourced from PubChem (CID 21185625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).