dibutyl-dodec-1-en-2-yl-iodostannane

C20H41ISn — CID 11272490

IUPACdibutyl-dodec-1-en-2-yl-iodostannane
SMILESC=C(CCCCCCCCCC)[Sn](I)(CCCC)CCCC
InChIInChI=1S/C12H23.2C4H9.HI.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-4-2;;/h1,4-12H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyNMIWDYOFCHMDJH-UHFFFAOYSA-M
MW527.16 g/mol
LogP8.59
Rot. Bonds16

About dibutyl-dodec-1-en-2-yl-iodostannane

dibutyl-dodec-1-en-2-yl-iodostannane (PubChem CID 11272490) has the molecular formula C20H41ISn and a molecular weight of 527.16 g/mol. Its IUPAC name is dibutyl-dodec-1-en-2-yl-iodostannane.

Molecular Properties

Compound Namedibutyl-dodec-1-en-2-yl-iodostannane
PubChem CID11272490
Molecular FormulaC20H41ISn
Molecular Weight527.16 g/mol
Exact Mass528.13
IUPAC Namedibutyl-dodec-1-en-2-yl-iodostannane
SMILESC=C(CCCCCCCCCC)[Sn](I)(CCCC)CCCC
InChIInChI=1S/C12H23.2C4H9.HI.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-4-2;;/h1,4-12H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyNMIWDYOFCHMDJH-UHFFFAOYSA-M
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.16
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(dec-1-en-2-yl)stannane
CID 14784453
5-tributylstannylhex-5-en-1-ol
CID 11773674
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375
trimethyl(octadec-1-en-2-yl)azanium
CID 171061645
2-bromotetradec-1-ene
CID 2757183
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
ethane;2-methyloct-1-ene
CID 143077596

Frequently Asked Questions

What is the IUPAC name of dibutyl-dodec-1-en-2-yl-iodostannane?
The IUPAC name of dibutyl-dodec-1-en-2-yl-iodostannane (CID 11272490) is dibutyl-dodec-1-en-2-yl-iodostannane.
What is the SMILES notation for dibutyl-dodec-1-en-2-yl-iodostannane?
The canonical SMILES for dibutyl-dodec-1-en-2-yl-iodostannane is C=C(CCCCCCCCCC)[Sn](I)(CCCC)CCCC.
What is the InChIKey of dibutyl-dodec-1-en-2-yl-iodostannane?
The InChIKey is NMIWDYOFCHMDJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23.2C4H9.HI.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-4-2;;/h1,4-12H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of dibutyl-dodec-1-en-2-yl-iodostannane?
dibutyl-dodec-1-en-2-yl-iodostannane has a molecular weight of 527.16 g/mol, XLogP of 8.59, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-dodec-1-en-2-yl-iodostannane is sourced from PubChem (CID 11272490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).