2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole

C12H20I2Si — CID 15423860

IUPAC2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole
SMILESCC1=C(I)[Si](C(C)C)(C(C)C)C(I)=C1C
InChIInChI=1S/C12H20I2Si/c1-7(2)15(8(3)4)11(13)9(5)10(6)12(15)14/h7-8H,1-6H3
InChIKeyMOKJGZCRDHHHOU-UHFFFAOYSA-N
MW446.19 g/mol
LogP5.77
Rot. Bonds2

About 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole

2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole (PubChem CID 15423860) has the molecular formula C12H20I2Si and a molecular weight of 446.19 g/mol. Its IUPAC name is 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole.

Molecular Properties

Compound Name2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole
PubChem CID15423860
Molecular FormulaC12H20I2Si
Molecular Weight446.19 g/mol
Exact Mass445.94
IUPAC Name2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole
SMILESCC1=C(I)[Si](C(C)C)(C(C)C)C(I)=C1C
InChIInChI=1S/C12H20I2Si/c1-7(2)15(8(3)4)11(13)9(5)10(6)12(15)14/h7-8H,1-6H3
InChIKeyMOKJGZCRDHHHOU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-1,4-diiodo-2,3-dimethyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 10695996
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 57572890
(1,4-Diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl)-trimethylsilane
CID 76569429
[(Z)-iodo-[(2Z)-2-[iodo(trimethylsilyl)methylidene]cyclopentylidene]methyl]-trimethylsilane
CID 11027370
[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane
CID 102065770
[(Z)-1,4-diiodo-2-methylpent-1-enyl]-trimethylsilane
CID 102065771
[(E)-iodo-[(2Z)-2-[iodo(trimethylsilyl)methylidene]cyclopentylidene]methyl]-trimethylsilane
CID 177403379
Tributyl-[5-iodo-3,4-dimethyl-1,1-di(propan-2-yl)silol-2-yl]stannane
CID 177599821

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole?
The IUPAC name of 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole (CID 15423860) is 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole.
What is the SMILES notation for 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole?
The canonical SMILES for 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole is CC1=C(I)[Si](C(C)C)(C(C)C)C(I)=C1C.
What is the InChIKey of 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole?
The InChIKey is MOKJGZCRDHHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2Si/c1-7(2)15(8(3)4)11(13)9(5)10(6)12(15)14/h7-8H,1-6H3.
What are the key properties of 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole?
2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole has a molecular weight of 446.19 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole is sourced from PubChem (CID 15423860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).