CID 156639964

C15H30I2-2 — CID 156639964

IUPAC—
SMILESCC(C)CCCCCCCCC1[I-]CC(C)[I-]1
InChIInChI=1S/C15H30I2/c1-13(2)10-8-6-4-5-7-9-11-15-16-12-14(3)17-15/h13-15H,4-12H2,1-3H3/q-2
InChIKeyHPSLIHZVTWDYJT-UHFFFAOYSA-N
MW464.21 g/mol
LogP-1.33
Rot. Bonds9

About CID 156639964

CID 156639964 (PubChem CID 156639964) has the molecular formula C15H30I2-2 and a molecular weight of 464.21 g/mol.

Molecular Properties

Compound NameCID 156639964
PubChem CID156639964
Molecular FormulaC15H30I2-2
Molecular Weight464.21 g/mol
Exact Mass464.04
IUPAC Name—
SMILESCC(C)CCCCCCCCC1[I-]CC(C)[I-]1
InChIInChI=1S/C15H30I2/c1-13(2)10-8-6-4-5-7-9-11-15-16-12-14(3)17-15/h13-15H,4-12H2,1-3H3/q-2
InChIKeyHPSLIHZVTWDYJT-UHFFFAOYSA-N
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.21
LogP ≤ 5-1.33
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze CID 156639964 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 156639964?
The IUPAC name of CID 156639964 (CID 156639964) is not available.
What is the SMILES notation for CID 156639964?
The canonical SMILES for CID 156639964 is CC(C)CCCCCCCCC1[I-]CC(C)[I-]1.
What is the InChIKey of CID 156639964?
The InChIKey is HPSLIHZVTWDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30I2/c1-13(2)10-8-6-4-5-7-9-11-15-16-12-14(3)17-15/h13-15H,4-12H2,1-3H3/q-2.
What are the key properties of CID 156639964?
CID 156639964 has a molecular weight of 464.21 g/mol, XLogP of -1.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156639964 is sourced from PubChem (CID 156639964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).