2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole

C15H24I2O2Si — CID 11731005

IUPAC2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole
SMILESCC[Si]1(CC)C(I)=C2CC(COC)(COC)CC2=C1I
InChIInChI=1S/C15H24I2O2Si/c1-5-20(6-2)13(16)11-7-15(9-18-3,10-19-4)8-12(11)14(20)17/h5-10H2,1-4H3
InChIKeyCICQPZKUMOSACM-UHFFFAOYSA-N
MW518.25 g/mol
LogP5.02
Rot. Bonds6

About 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole

2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole (PubChem CID 11731005) has the molecular formula C15H24I2O2Si and a molecular weight of 518.25 g/mol. Its IUPAC name is 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole.

Molecular Properties

Compound Name2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole
PubChem CID11731005
Molecular FormulaC15H24I2O2Si
Molecular Weight518.25 g/mol
Exact Mass517.96
IUPAC Name2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole
SMILESCC[Si]1(CC)C(I)=C2CC(COC)(COC)CC2=C1I
InChIInChI=1S/C15H24I2O2Si/c1-5-20(6-2)13(16)11-7-15(9-18-3,10-19-4)8-12(11)14(20)17/h5-10H2,1-4H3
InChIKeyCICQPZKUMOSACM-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]-4,4-bis(methoxymethyl)cyclopentylidene]methyl]-trimethylsilane
CID 10962893
[2,2-Diethyl-5,5-bis(methoxymethyl)-3-trimethylsilyl-4,6-dihydrocyclopenta[c]silol-1-yl]-trimethylsilane
CID 101060246
CID 101060247
CID 101060247
CID 101060248
CID 101060248
[(E)-iodo-[(2Z)-2-[iodo(trimethylsilyl)methylidene]-4,4-bis(methoxymethyl)cyclopentylidene]methyl]-trimethylsilane
CID 177429370

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole?
The IUPAC name of 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole (CID 11731005) is 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole.
What is the SMILES notation for 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole?
The canonical SMILES for 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole is CC[Si]1(CC)C(I)=C2CC(COC)(COC)CC2=C1I.
What is the InChIKey of 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole?
The InChIKey is CICQPZKUMOSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24I2O2Si/c1-5-20(6-2)13(16)11-7-15(9-18-3,10-19-4)8-12(11)14(20)17/h5-10H2,1-4H3.
What are the key properties of 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole?
2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole has a molecular weight of 518.25 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,3-diiodo-5,5-bis(methoxymethyl)-4,6-dihydrocyclopenta[c]silole is sourced from PubChem (CID 11731005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).