lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene

C14H16ILi — CID 10425987

IUPAClithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene
SMILESCC(C)(C)/C(I)=C/C=C\c1[c-]cccc1.[Li+]
InChIInChI=1S/C14H16I.Li/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12;/h4-8,10-11H,1-3H3;/q-1;+1/b10-7-,13-11-;
InChIKeyZZBBCPYMHFGOHS-MJPXADRPSA-N
MW318.13 g/mol
LogP1.87
Rot. Bonds2

About lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene

lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene (PubChem CID 10425987) has the molecular formula C14H16ILi and a molecular weight of 318.13 g/mol. Its IUPAC name is lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene.

Molecular Properties

Compound Namelithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene
PubChem CID10425987
Molecular FormulaC14H16ILi
Molecular Weight318.13 g/mol
Exact Mass318.05
IUPAC Namelithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene
SMILESCC(C)(C)/C(I)=C/C=C\c1[c-]cccc1.[Li+]
InChIInChI=1S/C14H16I.Li/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12;/h4-8,10-11H,1-3H3;/q-1;+1/b10-7-,13-11-;
InChIKeyZZBBCPYMHFGOHS-MJPXADRPSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene?
The IUPAC name of lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene (CID 10425987) is lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene.
What is the SMILES notation for lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene?
The canonical SMILES for lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene is CC(C)(C)/C(I)=C/C=C\c1[c-]cccc1.[Li+].
What is the InChIKey of lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene?
The InChIKey is ZZBBCPYMHFGOHS-MJPXADRPSA-N. The full InChI is InChI=1S/C14H16I.Li/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12;/h4-8,10-11H,1-3H3;/q-1;+1/b10-7-,13-11-;.
What are the key properties of lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene?
lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene has a molecular weight of 318.13 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene is sourced from PubChem (CID 10425987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).