(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene

C10H15I — CID 89170152

IUPAC(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C\C(C)=C/CI
InChIInChI=1S/C10H15I/c1-8(2)10(4)7-9(3)5-6-11/h5,7H,1,6H2,2-4H3/b9-5-,10-7-
InChIKeyXFBOLDTUQQXPCZ-IQHOYWBLSA-N
MW262.13 g/mol
LogP3.89
Rot. Bonds3

About (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene

(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene (PubChem CID 89170152) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene
PubChem CID89170152
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C\C(C)=C/CI
InChIInChI=1S/C10H15I/c1-8(2)10(4)7-9(3)5-6-11/h5,7H,1,6H2,2-4H3/b9-5-,10-7-
InChIKeyXFBOLDTUQQXPCZ-IQHOYWBLSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene (CID 89170152) is (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene is C=C(C)/C(C)=C\C(C)=C/CI.
What is the InChIKey of (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene?
The InChIKey is XFBOLDTUQQXPCZ-IQHOYWBLSA-N. The full InChI is InChI=1S/C10H15I/c1-8(2)10(4)7-9(3)5-6-11/h5,7H,1,6H2,2-4H3/b9-5-,10-7-.
What are the key properties of (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene?
(3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene has a molecular weight of 262.13 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-iodo-2,3,5-trimethylhepta-1,3,5-triene is sourced from PubChem (CID 89170152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).