cyclohexyl-iodo-bis(3-methylbutyl)stannane

C16H33ISn — CID 131881402

IUPACcyclohexyl-iodo-bis(3-methylbutyl)stannane
SMILESCC(C)CC[Sn](I)(CCC(C)C)C1CCCCC1
InChIInChI=1S/C6H11.2C5H11.HI.Sn/c1-2-4-6-5-3-1;2*1-4-5(2)3;;/h1H,2-6H2;2*5H,1,4H2,2-3H3;1H;/q;;;;+1/p-1
InChIKeySWXNSFZMDUYITG-UHFFFAOYSA-M
MW471.06 g/mol
LogP6.79
Rot. Bonds7

About cyclohexyl-iodo-bis(3-methylbutyl)stannane

cyclohexyl-iodo-bis(3-methylbutyl)stannane (PubChem CID 131881402) has the molecular formula C16H33ISn and a molecular weight of 471.06 g/mol. Its IUPAC name is cyclohexyl-iodo-bis(3-methylbutyl)stannane.

Molecular Properties

Compound Namecyclohexyl-iodo-bis(3-methylbutyl)stannane
PubChem CID131881402
Molecular FormulaC16H33ISn
Molecular Weight471.06 g/mol
Exact Mass472.06
IUPAC Namecyclohexyl-iodo-bis(3-methylbutyl)stannane
SMILESCC(C)CC[Sn](I)(CCC(C)C)C1CCCCC1
InChIInChI=1S/C6H11.2C5H11.HI.Sn/c1-2-4-6-5-3-1;2*1-4-5(2)3;;/h1H,2-6H2;2*5H,1,4H2,2-3H3;1H;/q;;;;+1/p-1
InChIKeySWXNSFZMDUYITG-UHFFFAOYSA-M
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.06
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-iodo-bis(3-methylbutyl)stannane?
The IUPAC name of cyclohexyl-iodo-bis(3-methylbutyl)stannane (CID 131881402) is cyclohexyl-iodo-bis(3-methylbutyl)stannane.
What is the SMILES notation for cyclohexyl-iodo-bis(3-methylbutyl)stannane?
The canonical SMILES for cyclohexyl-iodo-bis(3-methylbutyl)stannane is CC(C)CC[Sn](I)(CCC(C)C)C1CCCCC1.
What is the InChIKey of cyclohexyl-iodo-bis(3-methylbutyl)stannane?
The InChIKey is SWXNSFZMDUYITG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11.2C5H11.HI.Sn/c1-2-4-6-5-3-1;2*1-4-5(2)3;;/h1H,2-6H2;2*5H,1,4H2,2-3H3;1H;/q;;;;+1/p-1.
What are the key properties of cyclohexyl-iodo-bis(3-methylbutyl)stannane?
cyclohexyl-iodo-bis(3-methylbutyl)stannane has a molecular weight of 471.06 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-iodo-bis(3-methylbutyl)stannane is sourced from PubChem (CID 131881402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).