(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene

C11H17I — CID 135037814

IUPAC(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene
SMILESCC/C=C(C)/C=C(C)/C=C(/C)I
InChIInChI=1S/C11H17I/c1-5-6-9(2)7-10(3)8-11(4)12/h6-8H,5H2,1-4H3/b9-6+,10-7+,11-8-
InChIKeyJTFMBGBVYPBJSE-ATQUJFMQSA-N
MW276.16 g/mol
LogP4.63
Rot. Bonds3

About (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene

(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene (PubChem CID 135037814) has the molecular formula C11H17I and a molecular weight of 276.16 g/mol. Its IUPAC name is (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene
PubChem CID135037814
Molecular FormulaC11H17I
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene
SMILESCC/C=C(C)/C=C(C)/C=C(/C)I
InChIInChI=1S/C11H17I/c1-5-6-9(2)7-10(3)8-11(4)12/h6-8H,5H2,1-4H3/b9-6+,10-7+,11-8-
InChIKeyJTFMBGBVYPBJSE-ATQUJFMQSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 54.63
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Alloocimene, (4E,6Z)-
CID 5371125
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
CID 14656047
(4Z,6e)-2,6-dimethyl-2,4,6-octatriene
CID 5462627

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene (CID 135037814) is (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene is CC/C=C(C)/C=C(C)/C=C(/C)I.
What is the InChIKey of (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene?
The InChIKey is JTFMBGBVYPBJSE-ATQUJFMQSA-N. The full InChI is InChI=1S/C11H17I/c1-5-6-9(2)7-10(3)8-11(4)12/h6-8H,5H2,1-4H3/b9-6+,10-7+,11-8-.
What are the key properties of (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene?
(2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene has a molecular weight of 276.16 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-2-iodo-4,6-dimethylnona-2,4,6-triene is sourced from PubChem (CID 135037814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).