1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole

C14H22I2Si — CID 100919374

IUPAC1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole
SMILESCC(C)[Si]1(C(C)C)C(I)=C2CCCCC2=C1I
InChIInChI=1S/C14H22I2Si/c1-9(2)17(10(3)4)13(15)11-7-5-6-8-12(11)14(17)16/h9-10H,5-8H2,1-4H3
InChIKeyDYZNLVBQSHZVAE-UHFFFAOYSA-N
MW472.22 g/mol
LogP6.30
Rot. Bonds2

About 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole

1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole (PubChem CID 100919374) has the molecular formula C14H22I2Si and a molecular weight of 472.22 g/mol. Its IUPAC name is 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole.

Molecular Properties

Compound Name1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole
PubChem CID100919374
Molecular FormulaC14H22I2Si
Molecular Weight472.22 g/mol
Exact Mass471.96
IUPAC Name1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole
SMILESCC(C)[Si]1(C(C)C)C(I)=C2CCCCC2=C1I
InChIInChI=1S/C14H22I2Si/c1-9(2)17(10(3)4)13(15)11-7-5-6-8-12(11)14(17)16/h9-10H,5-8H2,1-4H3
InChIKeyDYZNLVBQSHZVAE-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.22
LogP ≤ 56.30
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

[(Z)-iodo-[(2Z)-2-[iodo(trimethylsilyl)methylidene]cyclohexylidene]methyl]-trimethylsilane
CID 10529504
Bis(trimethylsilyliodomethylidene) cyclohexane
CID 85173431

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole?
The IUPAC name of 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole (CID 100919374) is 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole.
What is the SMILES notation for 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole?
The canonical SMILES for 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole is CC(C)[Si]1(C(C)C)C(I)=C2CCCCC2=C1I.
What is the InChIKey of 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole?
The InChIKey is DYZNLVBQSHZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22I2Si/c1-9(2)17(10(3)4)13(15)11-7-5-6-8-12(11)14(17)16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole?
1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole has a molecular weight of 472.22 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2,2-di(propan-2-yl)-4,5,6,7-tetrahydro-2-benzosilole is sourced from PubChem (CID 100919374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).