(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene

C10H17I — CID 11086624

IUPAC(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene
SMILESC/C(I)=C\C(C)=C\C(C)(C)C
InChIInChI=1S/C10H17I/c1-8(6-9(2)11)7-10(3,4)5/h6-7H,1-5H3/b8-7+,9-6+
InChIKeyRHRWJJKTKNPAJB-KHHFIZIMSA-N
MW264.15 g/mol
LogP4.32
Rot. Bonds1

About (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene

(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene (PubChem CID 11086624) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene
PubChem CID11086624
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene
SMILESC/C(I)=C\C(C)=C\C(C)(C)C
InChIInChI=1S/C10H17I/c1-8(6-9(2)11)7-10(3,4)5/h6-7H,1-5H3/b8-7+,9-6+
InChIKeyRHRWJJKTKNPAJB-KHHFIZIMSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Artemisia triene
CID 5320377
2,5,5-Trimethyl-1,3,6-heptatriene
CID 564723
2,4-Dimethyl-2,4-heptadiene
CID 572949
2,3,5-Trimethyl-2,4-hexadiene
CID 15696321
(4Z)-2,3,4-trimethylhexa-2,4-diene
CID 54453887
2,4-Heptadiene, 2,4-dimethyl-
CID 5370116
(3E)-2,3,5,5-tetramethylhexa-1,3-diene
CID 15140960
2,3,4-Trimethylhexa-2,4-diene
CID 15846854
3,5-Dimethylhepta-2,4-diene
CID 53424938
3,4,5-Trimethyl-2,4-heptadiene
CID 53755052
Iodo-4-methyl-3,5-hexadiene
CID 53950976
2,5-Dimethyl-2,4-heptadiene
CID 54097255

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene?
The IUPAC name of (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene (CID 11086624) is (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene?
The canonical SMILES for (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene is C/C(I)=C\C(C)=C\C(C)(C)C.
What is the InChIKey of (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene?
The InChIKey is RHRWJJKTKNPAJB-KHHFIZIMSA-N. The full InChI is InChI=1S/C10H17I/c1-8(6-9(2)11)7-10(3,4)5/h6-7H,1-5H3/b8-7+,9-6+.
What are the key properties of (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene?
(2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene has a molecular weight of 264.15 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-iodo-4,6,6-trimethylhepta-2,4-diene is sourced from PubChem (CID 11086624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).