bis(2,4-dichlorophenoxy)-prop-1-enylsilane

C15H12Cl4O2Si — CID 163490244

IUPACbis(2,4-dichlorophenoxy)-prop-1-enylsilane
SMILESCC=C[SiH](Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O2Si/c1-2-7-22(20-14-5-3-10(16)8-12(14)18)21-15-6-4-11(17)9-13(15)19/h2-9,22H,1H3
InChIKeyCLZGJPSWWQSDPW-UHFFFAOYSA-N
MW394.16 g/mol
LogP6.09
Rot. Bonds5

About bis(2,4-dichlorophenoxy)-prop-1-enylsilane

bis(2,4-dichlorophenoxy)-prop-1-enylsilane (PubChem CID 163490244) has the molecular formula C15H12Cl4O2Si and a molecular weight of 394.16 g/mol. Its IUPAC name is bis(2,4-dichlorophenoxy)-prop-1-enylsilane.

Molecular Properties

Compound Namebis(2,4-dichlorophenoxy)-prop-1-enylsilane
PubChem CID163490244
Molecular FormulaC15H12Cl4O2Si
Molecular Weight394.16 g/mol
Exact Mass391.94
IUPAC Namebis(2,4-dichlorophenoxy)-prop-1-enylsilane
SMILESCC=C[SiH](Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O2Si/c1-2-7-22(20-14-5-3-10(16)8-12(14)18)21-15-6-4-11(17)9-13(15)19/h2-9,22H,1H3
InChIKeyCLZGJPSWWQSDPW-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.16
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
2,4-dichloro-1-(methylsulfinylmethoxy)benzene
CID 68577849
3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 5327102
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
(2,4-dichlorophenyl) methanimidate
CID 45091448
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
(2S,3R,4R)-2-(2,4-dichlorophenoxy)-4-(2,3-dimethylphenyl)-3-(hydroxymethyl)cyclobutan-1-one
CID 51674962
[2-(2,4-dichlorophenoxy)-1,1,2,2-tetrafluoroethyl]-trimethylsilane
CID 154731418

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dichlorophenoxy)-prop-1-enylsilane?
The IUPAC name of bis(2,4-dichlorophenoxy)-prop-1-enylsilane (CID 163490244) is bis(2,4-dichlorophenoxy)-prop-1-enylsilane.
What is the SMILES notation for bis(2,4-dichlorophenoxy)-prop-1-enylsilane?
The canonical SMILES for bis(2,4-dichlorophenoxy)-prop-1-enylsilane is CC=C[SiH](Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of bis(2,4-dichlorophenoxy)-prop-1-enylsilane?
The InChIKey is CLZGJPSWWQSDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2Si/c1-2-7-22(20-14-5-3-10(16)8-12(14)18)21-15-6-4-11(17)9-13(15)19/h2-9,22H,1H3.
What are the key properties of bis(2,4-dichlorophenoxy)-prop-1-enylsilane?
bis(2,4-dichlorophenoxy)-prop-1-enylsilane has a molecular weight of 394.16 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dichlorophenoxy)-prop-1-enylsilane is sourced from PubChem (CID 163490244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).