CID 142812171

C15H26I — CID 142812171

IUPAC—
SMILESCCCC[I]/C(C=C(C)C)=C/C(C)=C(C)C
InChIInChI=1S/C15H26I/c1-7-8-9-16-15(10-12(2)3)11-14(6)13(4)5/h10-11H,7-9H2,1-6H3/b15-11+
InChIKeyCOARFOAFDRDRSJ-RVDMUPIBSA-N
MW333.28 g/mol
LogP5.96
Rot. Bonds6

About CID 142812171

CID 142812171 (PubChem CID 142812171) has the molecular formula C15H26I and a molecular weight of 333.28 g/mol.

Molecular Properties

Compound NameCID 142812171
PubChem CID142812171
Molecular FormulaC15H26I
Molecular Weight333.28 g/mol
Exact Mass333.11
IUPAC Name—
SMILESCCCC[I]/C(C=C(C)C)=C/C(C)=C(C)C
InChIInChI=1S/C15H26I/c1-7-8-9-16-15(10-12(2)3)11-14(6)13(4)5/h10-11H,7-9H2,1-6H3/b15-11+
InChIKeyCOARFOAFDRDRSJ-RVDMUPIBSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 55.96
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142812171?
The IUPAC name of CID 142812171 (CID 142812171) is not available.
What is the SMILES notation for CID 142812171?
The canonical SMILES for CID 142812171 is CCCC[I]/C(C=C(C)C)=C/C(C)=C(C)C.
What is the InChIKey of CID 142812171?
The InChIKey is COARFOAFDRDRSJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H26I/c1-7-8-9-16-15(10-12(2)3)11-14(6)13(4)5/h10-11H,7-9H2,1-6H3/b15-11+.
What are the key properties of CID 142812171?
CID 142812171 has a molecular weight of 333.28 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142812171 is sourced from PubChem (CID 142812171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).