(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene

C12H21I — CID 15329333

IUPAC(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
SMILESCC/C=C(CC)/C(CC)=C(\I)CC
InChIInChI=1S/C12H21I/c1-5-9-10(6-2)11(7-3)12(13)8-4/h9H,5-8H2,1-4H3/b10-9+,12-11-
InChIKeyAATQCHYUBOFPNI-PVHUKWJHSA-N
MW292.20 g/mol
LogP5.24
Rot. Bonds5

About (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene

(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene (PubChem CID 15329333) has the molecular formula C12H21I and a molecular weight of 292.20 g/mol. Its IUPAC name is (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
PubChem CID15329333
Molecular FormulaC12H21I
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
SMILESCC/C=C(CC)/C(CC)=C(\I)CC
InChIInChI=1S/C12H21I/c1-5-9-10(6-2)11(7-3)12(13)8-4/h9H,5-8H2,1-4H3/b10-9+,12-11-
InChIKeyAATQCHYUBOFPNI-PVHUKWJHSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.20
LogP ≤ 55.24
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'}

Analyze (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
CID 102180711
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
4-ethylhept-4-en-3-imine
CID 15439670
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
ethyl 4-[(3Z,5E)-4,5-diethylocta-3,5-dien-3-yl]benzoate
CID 10969057
(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
CID 178143445
(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
CID 123457704
2-(2-ethylpent-2-enoyl)propanedioic acid
CID 73413581
3-methylsulfanylhex-3-ene
CID 141088508
N-butan-2-yl-3-ethylhex-3-en-2-imine
CID 123227032

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene?
The IUPAC name of (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene (CID 15329333) is (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene?
The canonical SMILES for (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene is CC/C=C(CC)/C(CC)=C(\I)CC.
What is the InChIKey of (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene?
The InChIKey is AATQCHYUBOFPNI-PVHUKWJHSA-N. The full InChI is InChI=1S/C12H21I/c1-5-9-10(6-2)11(7-3)12(13)8-4/h9H,5-8H2,1-4H3/b10-9+,12-11-.
What are the key properties of (3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene?
(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene has a molecular weight of 292.20 g/mol, XLogP of 5.24, 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-iodoocta-3,5-diene is sourced from PubChem (CID 15329333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).