(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene

C11H13I — CID 173467961

IUPAC(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene
SMILESCC1=C/C=C/C=C(C)\C=I\C=C1
InChIInChI=1S/C11H13I/c1-10-5-3-4-6-11(2)9-12-8-7-10/h3-9H,1-2H3/b4-3+,5-3?,6-4-,8-7?,10-5?,10-7?,11-6-,11-9-
InChIKeyONKGXHUUISTMDO-WTPBPGCQSA-N
MW272.13 g/mol
LogP3.74
Rot. Bonds

About (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene

(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene (PubChem CID 173467961) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene
PubChem CID173467961
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene
SMILESCC1=C/C=C/C=C(C)\C=I\C=C1
InChIInChI=1S/C11H13I/c1-10-5-3-4-6-11(2)9-12-8-7-10/h3-9H,1-2H3/b4-3+,5-3?,6-4-,8-7?,10-5?,10-7?,11-6-,11-9-
InChIKeyONKGXHUUISTMDO-WTPBPGCQSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.74
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 (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene (CID 173467961) is (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene is CC1=C/C=C/C=C(C)\C=I\C=C1.
What is the InChIKey of (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is ONKGXHUUISTMDO-WTPBPGCQSA-N. The full InChI is InChI=1S/C11H13I/c1-10-5-3-4-6-11(2)9-12-8-7-10/h3-9H,1-2H3/b4-3+,5-3?,6-4-,8-7?,10-5?,10-7?,11-6-,11-9-.
What are the key properties of (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene?
(3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 272.13 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,8-dimethyl-1λ3-iodacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 173467961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).