CID 59746073

C4H8I — CID 59746073

IUPAC—
SMILESCC[CH]CI
InChIInChI=1S/C4H8I/c1-2-3-4-5/h3H,2,4H2,1H3
InChIKeyXELBUTSZHDQSEX-UHFFFAOYSA-N
MW183.01 g/mol
LogP2.04
Rot. Bonds2

About CID 59746073

CID 59746073 (PubChem CID 59746073) has the molecular formula C4H8I and a molecular weight of 183.01 g/mol.

Molecular Properties

Compound NameCID 59746073
PubChem CID59746073
Molecular FormulaC4H8I
Molecular Weight183.01 g/mol
Exact Mass182.97
IUPAC Name—
SMILESCC[CH]CI
InChIInChI=1S/C4H8I/c1-2-3-4-5/h3H,2,4H2,1H3
InChIKeyXELBUTSZHDQSEX-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.01
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59746073?
The IUPAC name of CID 59746073 (CID 59746073) is not available.
What is the SMILES notation for CID 59746073?
The canonical SMILES for CID 59746073 is CC[CH]CI.
What is the InChIKey of CID 59746073?
The InChIKey is XELBUTSZHDQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I/c1-2-3-4-5/h3H,2,4H2,1H3.
What are the key properties of CID 59746073?
CID 59746073 has a molecular weight of 183.01 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59746073 is sourced from PubChem (CID 59746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).