sodium;dodecane;iodobenzene

C18H30INa — CID 174686721

IUPACsodium;dodecane;iodobenzene
SMILESIc1ccccc1.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C6H5I.Na/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;/h1,3-12H2,2H3;1-5H;/q-1;;+1
InChIKeyPWBODGZBBIOAKK-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.04
Rot. Bonds9

About sodium;dodecane;iodobenzene

sodium;dodecane;iodobenzene (PubChem CID 174686721) has the molecular formula C18H30INa and a molecular weight of 396.33 g/mol. Its IUPAC name is sodium;dodecane;iodobenzene.

Molecular Properties

Compound Namesodium;dodecane;iodobenzene
PubChem CID174686721
Molecular FormulaC18H30INa
Molecular Weight396.33 g/mol
Exact Mass396.13
IUPAC Namesodium;dodecane;iodobenzene
SMILESIc1ccccc1.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C6H5I.Na/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;/h1,3-12H2,2H3;1-5H;/q-1;;+1
InChIKeyPWBODGZBBIOAKK-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;dodecane;iodobenzene?
The IUPAC name of sodium;dodecane;iodobenzene (CID 174686721) is sodium;dodecane;iodobenzene.
What is the SMILES notation for sodium;dodecane;iodobenzene?
The canonical SMILES for sodium;dodecane;iodobenzene is Ic1ccccc1.[CH2-]CCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;dodecane;iodobenzene?
The InChIKey is PWBODGZBBIOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C6H5I.Na/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;/h1,3-12H2,2H3;1-5H;/q-1;;+1.
What are the key properties of sodium;dodecane;iodobenzene?
sodium;dodecane;iodobenzene has a molecular weight of 396.33 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane;iodobenzene is sourced from PubChem (CID 174686721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).