(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene

C13H23I — CID 102180711

IUPAC(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
SMILESCC/C(I)=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C13H23I/c1-6-10(5)11(7-2)12(8-3)13(14)9-4/h6-9H2,1-5H3/b11-10+,13-12-
InChIKeyAJCWQVUDVSHINE-MRBUWEIXSA-N
MW306.23 g/mol
LogP5.63
Rot. Bonds5

About (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene

(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene (PubChem CID 102180711) has the molecular formula C13H23I and a molecular weight of 306.23 g/mol. Its IUPAC name is (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
PubChem CID102180711
Molecular FormulaC13H23I
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
SMILESCC/C(I)=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C13H23I/c1-6-10(5)11(7-2)12(8-3)13(14)9-4/h6-9H2,1-5H3/b11-10+,13-12-
InChIKeyAJCWQVUDVSHINE-MRBUWEIXSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.23
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene?
The IUPAC name of (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene (CID 102180711) is (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene?
The canonical SMILES for (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene is CC/C(I)=C(CC)/C(CC)=C(\C)CC.
What is the InChIKey of (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene?
The InChIKey is AJCWQVUDVSHINE-MRBUWEIXSA-N. The full InChI is InChI=1S/C13H23I/c1-6-10(5)11(7-2)12(8-3)13(14)9-4/h6-9H2,1-5H3/b11-10+,13-12-.
What are the key properties of (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene?
(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene has a molecular weight of 306.23 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene is sourced from PubChem (CID 102180711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).