(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene

C16H28I2 — CID 135039011

IUPAC(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
SMILESCCCC/C(I)=C(CCCC)/C(CC)=C(\I)CC
InChIInChI=1S/C16H28I2/c1-5-9-11-14(16(18)12-10-6-2)13(7-3)15(17)8-4/h5-12H2,1-4H3/b15-13-,16-14-
InChIKeyHTSJJBMJUSSIEP-VMNXYWKNSA-N
MW474.21 g/mol
LogP7.57
Rot. Bonds9

About (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene

(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene (PubChem CID 135039011) has the molecular formula C16H28I2 and a molecular weight of 474.21 g/mol. Its IUPAC name is (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
PubChem CID135039011
Molecular FormulaC16H28I2
Molecular Weight474.21 g/mol
Exact Mass474.03
IUPAC Name(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
SMILESCCCC/C(I)=C(CCCC)/C(CC)=C(\I)CC
InChIInChI=1S/C16H28I2/c1-5-9-11-14(16(18)12-10-6-2)13(7-3)15(17)8-4/h5-12H2,1-4H3/b15-13-,16-14-
InChIKeyHTSJJBMJUSSIEP-VMNXYWKNSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.21
LogP ≤ 57.57
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

(1,2-Diiodo-3-methylbut-2-enylidene)cyclohexane
CID 13234787
4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
CID 11248441
(1Z,2Z)-1,2-bis(1-iodobutylidene)cyclohexane
CID 11270713
(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene
CID 11371460
(4Z,6Z)-4,7-diiodo-5,6-dipropyldeca-4,6-diene
CID 11488324
(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
CID 11635110
(3Z,5Z)-4-ethyl-3,6-diiodo-5-propylnona-3,5-diene
CID 15329312
1-Iodo-2-(2-iodoethyl)cyclododecene
CID 129750441
2,2'-Diiodo-1,1'-bi(cyclooctene)
CID 129753764

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene?
The IUPAC name of (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene (CID 135039011) is (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene.
What is the SMILES notation for (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene?
The canonical SMILES for (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene is CCCC/C(I)=C(CCCC)/C(CC)=C(\I)CC.
What is the InChIKey of (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene?
The InChIKey is HTSJJBMJUSSIEP-VMNXYWKNSA-N. The full InChI is InChI=1S/C16H28I2/c1-5-9-11-14(16(18)12-10-6-2)13(7-3)15(17)8-4/h5-12H2,1-4H3/b15-13-,16-14-.
What are the key properties of (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene?
(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene has a molecular weight of 474.21 g/mol, XLogP of 7.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene is sourced from PubChem (CID 135039011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).