dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane

C12H14Cl2Si — CID 163444493

IUPACdichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane
SMILESC/C=C\C(=C/C)[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C12H14Cl2Si/c1-3-8-11(4-2)15(13,14)12-9-6-5-7-10-12/h3-10H,1-2H3/b8-3-,11-4+
InChIKeyBBIRPMCNEFDGDY-YMRMPOAWSA-N
MW257.24 g/mol
LogP3.88
Rot. Bonds3

About dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane

dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane (PubChem CID 163444493) has the molecular formula C12H14Cl2Si and a molecular weight of 257.24 g/mol. Its IUPAC name is dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane.

Molecular Properties

Compound Namedichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane
PubChem CID163444493
Molecular FormulaC12H14Cl2Si
Molecular Weight257.24 g/mol
Exact Mass256.02
IUPAC Namedichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane
SMILESC/C=C\C(=C/C)[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C12H14Cl2Si/c1-3-8-11(4-2)15(13,14)12-9-6-5-7-10-12/h3-10H,1-2H3/b8-3-,11-4+
InChIKeyBBIRPMCNEFDGDY-YMRMPOAWSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
CID 174010632
dichloro(diphenyl)silane
CID 6627
[phenyl-di(propan-2-yl)silyl] but-2-enoate
CID 175274232
chloro-[[[[[chloro(diphenyl)silyl]-diphenylsilyl]-diphenylsilyl]-diphenylsilyl]-diphenylsilyl]-diphenylsilane
CID 139703463
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
trichloro-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]silane
CID 23269562
2-[chloro-(2,2-dimethylhydrazinyl)-phenylsilyl]-1,1-dimethylhydrazine
CID 102590424
chloro-(chloro-methyl-phenylsilyl)oxy-methyl-phenylsilane
CID 101051464
[dichloro(phenyl)silyl]phosphane
CID 165358903
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane?
The IUPAC name of dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane (CID 163444493) is dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane.
What is the SMILES notation for dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane?
The canonical SMILES for dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane is C/C=C\C(=C/C)[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane?
The InChIKey is BBIRPMCNEFDGDY-YMRMPOAWSA-N. The full InChI is InChI=1S/C12H14Cl2Si/c1-3-8-11(4-2)15(13,14)12-9-6-5-7-10-12/h3-10H,1-2H3/b8-3-,11-4+.
What are the key properties of dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane?
dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane has a molecular weight of 257.24 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylsilane is sourced from PubChem (CID 163444493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).