1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene

C16H22I2 — CID 11431280

IUPAC1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene
SMILESCCCC/C(I)=C(\CCCC)c1ccccc1I
InChIInChI=1S/C16H22I2/c1-3-5-9-13(15(17)11-6-4-2)14-10-7-8-12-16(14)18/h7-8,10,12H,3-6,9,11H2,1-2H3/b15-13-
InChIKeyVCSBHJRMCRNUFG-SQFISAMPSA-N
MW468.16 g/mol
LogP6.82
Rot. Bonds7

About 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene

1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene (PubChem CID 11431280) has the molecular formula C16H22I2 and a molecular weight of 468.16 g/mol. Its IUPAC name is 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene.

Molecular Properties

Compound Name1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene
PubChem CID11431280
Molecular FormulaC16H22I2
Molecular Weight468.16 g/mol
Exact Mass467.98
IUPAC Name1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene
SMILESCCCC/C(I)=C(\CCCC)c1ccccc1I
InChIInChI=1S/C16H22I2/c1-3-5-9-13(15(17)11-6-4-2)14-10-7-8-12-16(14)18/h7-8,10,12H,3-6,9,11H2,1-2H3/b15-13-
InChIKeyVCSBHJRMCRNUFG-SQFISAMPSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.16
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene?
The IUPAC name of 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene (CID 11431280) is 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene.
What is the SMILES notation for 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene?
The canonical SMILES for 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene is CCCC/C(I)=C(\CCCC)c1ccccc1I.
What is the InChIKey of 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene?
The InChIKey is VCSBHJRMCRNUFG-SQFISAMPSA-N. The full InChI is InChI=1S/C16H22I2/c1-3-5-9-13(15(17)11-6-4-2)14-10-7-8-12-16(14)18/h7-8,10,12H,3-6,9,11H2,1-2H3/b15-13-.
What are the key properties of 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene?
1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene has a molecular weight of 468.16 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[(Z)-6-iododec-5-en-5-yl]benzene is sourced from PubChem (CID 11431280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).