dipropylchloranium

C6H14Cl+ — CID 87838809

IUPACdipropylchloranium
SMILESCCC[Cl+]CCC
InChIInChI=1S/C6H14Cl/c1-3-5-7-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyWVISIMJCAMDRPJ-UHFFFAOYSA-N
MW121.63 g/mol
LogP1.89
Rot. Bonds4

About dipropylchloranium

dipropylchloranium (PubChem CID 87838809) has the molecular formula C6H14Cl+ and a molecular weight of 121.63 g/mol. Its IUPAC name is dipropylchloranium.

Molecular Properties

Compound Namedipropylchloranium
PubChem CID87838809
Molecular FormulaC6H14Cl+
Molecular Weight121.63 g/mol
Exact Mass121.08
IUPAC Namedipropylchloranium
SMILESCCC[Cl+]CCC
InChIInChI=1S/C6H14Cl/c1-3-5-7-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyWVISIMJCAMDRPJ-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.63
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropylchloranium?
The IUPAC name of dipropylchloranium (CID 87838809) is dipropylchloranium.
What is the SMILES notation for dipropylchloranium?
The canonical SMILES for dipropylchloranium is CCC[Cl+]CCC.
What is the InChIKey of dipropylchloranium?
The InChIKey is WVISIMJCAMDRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl/c1-3-5-7-6-4-2/h3-6H2,1-2H3/q+1.
What are the key properties of dipropylchloranium?
dipropylchloranium has a molecular weight of 121.63 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylchloranium is sourced from PubChem (CID 87838809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).