(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene

C13H23I — CID 11515038

IUPAC(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene
SMILESCCC/C=C(\CC)C[C@@H](C)/C=C(\C)I
InChIInChI=1S/C13H23I/c1-5-7-8-13(6-2)10-11(3)9-12(4)14/h8-9,11H,5-7,10H2,1-4H3/b12-9+,13-8+/t11-/m0/s1
InChIKeyXMYAUVHCZYFJKC-HOOLAPQPSA-N
MW306.23 g/mol
LogP5.49
Rot. Bonds6

About (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene

(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene (PubChem CID 11515038) has the molecular formula C13H23I and a molecular weight of 306.23 g/mol. Its IUPAC name is (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene.

Molecular Properties

Compound Name(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene
PubChem CID11515038
Molecular FormulaC13H23I
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene
SMILESCCC/C=C(\CC)C[C@@H](C)/C=C(\C)I
InChIInChI=1S/C13H23I/c1-5-7-8-13(6-2)10-11(3)9-12(4)14/h8-9,11H,5-7,10H2,1-4H3/b12-9+,13-8+/t11-/m0/s1
InChIKeyXMYAUVHCZYFJKC-HOOLAPQPSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.23
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-butylidenepentane-1,4-diol
CID 100944358
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CID 161475233
(E)-5-ethyldec-4-ene
CID 173194379
1-iodopent-1-en-1-ol
CID 154405328
6-ethyl-2-methyldec-5-ene
CID 123276587
5-ethyldodec-4-ene
CID 123814834
5-ethylnona-1,5-diene
CID 54516473
(E)-3-iodohept-3-en-2-one
CID 101368269
bis[(E)-2-ethylhex-2-enyl] 2-[(E)-2-ethylhex-2-enoxy]butanedioate
CID 11005112
(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
CID 174502351
5-ethyl-3,7-dimethylundeca-3,7-diene
CID 123154835
(E)-3-methylhept-3-en-2-amine
CID 163910373

Frequently Asked Questions

What is the IUPAC name of (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene?
The IUPAC name of (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene (CID 11515038) is (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene.
What is the SMILES notation for (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene?
The canonical SMILES for (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene is CCC/C=C(\CC)C[C@@H](C)/C=C(\C)I.
What is the InChIKey of (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene?
The InChIKey is XMYAUVHCZYFJKC-HOOLAPQPSA-N. The full InChI is InChI=1S/C13H23I/c1-5-7-8-13(6-2)10-11(3)9-12(4)14/h8-9,11H,5-7,10H2,1-4H3/b12-9+,13-8+/t11-/m0/s1.
What are the key properties of (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene?
(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene has a molecular weight of 306.23 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene is sourced from PubChem (CID 11515038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).