2-methylprop-2-enylchloranium

C4H8Cl+ — CID 134854984

IUPAC2-methylprop-2-enylchloranium
SMILESC=C(C)C[ClH+]
InChIInChI=1S/C4H8Cl/c1-4(2)3-5/h5H,1,3H2,2H3/q+1
InChIKeyKYMPDTWCQPSAJZ-UHFFFAOYSA-N
MW91.56 g/mol
LogP0.84
Rot. Bonds1

About 2-methylprop-2-enylchloranium

2-methylprop-2-enylchloranium (PubChem CID 134854984) has the molecular formula C4H8Cl+ and a molecular weight of 91.56 g/mol. Its IUPAC name is 2-methylprop-2-enylchloranium.

Molecular Properties

Compound Name2-methylprop-2-enylchloranium
PubChem CID134854984
Molecular FormulaC4H8Cl+
Molecular Weight91.56 g/mol
Exact Mass91.03
IUPAC Name2-methylprop-2-enylchloranium
SMILESC=C(C)C[ClH+]
InChIInChI=1S/C4H8Cl/c1-4(2)3-5/h5H,1,3H2,2H3/q+1
InChIKeyKYMPDTWCQPSAJZ-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.56
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylchloranium?
The IUPAC name of 2-methylprop-2-enylchloranium (CID 134854984) is 2-methylprop-2-enylchloranium.
What is the SMILES notation for 2-methylprop-2-enylchloranium?
The canonical SMILES for 2-methylprop-2-enylchloranium is C=C(C)C[ClH+].
What is the InChIKey of 2-methylprop-2-enylchloranium?
The InChIKey is KYMPDTWCQPSAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl/c1-4(2)3-5/h5H,1,3H2,2H3/q+1.
What are the key properties of 2-methylprop-2-enylchloranium?
2-methylprop-2-enylchloranium has a molecular weight of 91.56 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylchloranium is sourced from PubChem (CID 134854984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).