dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

C38H44Cl2I2Si3 — CID 159842003

IUPACdichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1ccc(C#C)cc1.C[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)cc1.ClCCl.Ic1ccc(I)cc1
InChIInChI=1S/C16H22Si2.C10H6.C6H4I2.C5H10Si.CH2Cl2/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6;1-3-9-5-7-10(4-2)8-6-9;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4;2-1-3/h7-10H,1-6H3;1-2,5-8H;1-4H;1H,2-4H3;1H2
InChIKeyNOUJDSDUMVFNKX-UHFFFAOYSA-N
MW909.74 g/mol
LogP11.61
Rot. Bonds

About dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (PubChem CID 159842003) has the molecular formula C38H44Cl2I2Si3 and a molecular weight of 909.74 g/mol. Its IUPAC name is dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Namedichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
PubChem CID159842003
Molecular FormulaC38H44Cl2I2Si3
Molecular Weight909.74 g/mol
Exact Mass908.02
IUPAC Namedichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1ccc(C#C)cc1.C[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)cc1.ClCCl.Ic1ccc(I)cc1
InChIInChI=1S/C16H22Si2.C10H6.C6H4I2.C5H10Si.CH2Cl2/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6;1-3-9-5-7-10(4-2)8-6-9;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4;2-1-3/h7-10H,1-6H3;1-2,5-8H;1-4H;1H,2-4H3;1H2
InChIKeyNOUJDSDUMVFNKX-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.74
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethynylbenzene;ethynyl(trimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
CID 158335292
2-[(4-ethynylphenyl)methoxy]propane-1,3-diol;2-[(4-iodophenyl)methoxy]propane-1,3-diol;2-[[4-(2-trimethylsilylethynyl)phenyl]methoxy]propane-1,3-diol
CID 158993539
5-ethynylpyridin-2-amine;ethynyl(trimethyl)silane;5-iodopyridin-2-amine;5-(2-trimethylsilylethynyl)pyridin-2-amine
CID 159090913
dipotassium;1-ethynyl-4-phenylmethoxybenzene;ethynyl(trimethyl)silane;hydride;1-iodo-4-phenylmethoxybenzene;methanol;oxido formate;trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
CID 157475703
ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
CID 158686247
tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
CID 11447833
tert-butyl N-[3-(4-iodophenoxy)propyl]carbamate;tert-butyl N-[3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]carbamate;ethynyl(trimethyl)silane
CID 157090125
4-(2-trimethylsilylethynyl)phenol
CID 10750210
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane
CID 159779216

Frequently Asked Questions

What is the IUPAC name of dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The IUPAC name of dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (CID 159842003) is dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.
What is the SMILES notation for dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The canonical SMILES for dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is C#C[Si](C)(C)C.C#Cc1ccc(C#C)cc1.C[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)cc1.ClCCl.Ic1ccc(I)cc1.
What is the InChIKey of dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The InChIKey is NOUJDSDUMVFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Si2.C10H6.C6H4I2.C5H10Si.CH2Cl2/c1-17(2,3)13-11-15-7-9-16(10-8-15)12-14-18(4,5)6;1-3-9-5-7-10(4-2)8-6-9;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4;2-1-3/h7-10H,1-6H3;1-2,5-8H;1-4H;1H,2-4H3;1H2.
What are the key properties of dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane has a molecular weight of 909.74 g/mol, XLogP of 11.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;1,4-diethynylbenzene;1,4-diiodobenzene;ethynyl(trimethyl)silane;trimethyl-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is sourced from PubChem (CID 159842003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).