tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane

C25H47ISiSn — CID 11828272

IUPACtributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C2CCCC2=C(I)[Si]1(C(C)C)C(C)C
InChIInChI=1S/C13H20ISi.3C4H9.Sn/c1-9(2)15(10(3)4)8-11-6-5-7-12(11)13(15)14;3*1-3-4-2;/h9-10H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyASLAGCYSZHZNGF-UHFFFAOYSA-N
MW621.35 g/mol
LogP9.91
Rot. Bonds12

About tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane

tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane (PubChem CID 11828272) has the molecular formula C25H47ISiSn and a molecular weight of 621.35 g/mol. Its IUPAC name is tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane
PubChem CID11828272
Molecular FormulaC25H47ISiSn
Molecular Weight621.35 g/mol
Exact Mass622.15
IUPAC Nametributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C2CCCC2=C(I)[Si]1(C(C)C)C(C)C
InChIInChI=1S/C13H20ISi.3C4H9.Sn/c1-9(2)15(10(3)4)8-11-6-5-7-12(11)13(15)14;3*1-3-4-2;/h9-10H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyASLAGCYSZHZNGF-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.35
LogP ≤ 59.91
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

[2,2-di(propan-2-yl)-3-trimethylsilyl-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]-trimethylsilane
CID 10904261
1,3-diiodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silole
CID 10961505
1,3-diiodo-2,2-dimethyl-5,6-dihydro-4H-cyclopenta[c]silole
CID 100919375
2,2-diethyl-1,3-diiodo-5,6-dihydro-4H-cyclopenta[c]silole
CID 100919377
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 tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane?
The IUPAC name of tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane (CID 11828272) is tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane.
What is the SMILES notation for tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane?
The canonical SMILES for tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1=C2CCCC2=C(I)[Si]1(C(C)C)C(C)C.
What is the InChIKey of tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane?
The InChIKey is ASLAGCYSZHZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ISi.3C4H9.Sn/c1-9(2)15(10(3)4)8-11-6-5-7-12(11)13(15)14;3*1-3-4-2;/h9-10H,5-7H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane?
tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane has a molecular weight of 621.35 g/mol, XLogP of 9.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-iodo-2,2-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]stannane is sourced from PubChem (CID 11828272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).