6,7-dibutyl-5,8-diiodododeca-5,7-diene

C20H36I2 — CID 71360056

IUPAC6,7-dibutyl-5,8-diiodododeca-5,7-diene
SMILESCCCCC(I)=C(CCCC)C(CCCC)=C(I)CCCC
InChIInChI=1S/C20H36I2/c1-5-9-13-17(19(21)15-11-7-3)18(14-10-6-2)20(22)16-12-8-4/h5-16H2,1-4H3
InChIKeyBHDPYZPPMLFIIC-UHFFFAOYSA-N
MW530.32 g/mol
LogP9.13
Rot. Bonds13

About 6,7-dibutyl-5,8-diiodododeca-5,7-diene

6,7-dibutyl-5,8-diiodododeca-5,7-diene (PubChem CID 71360056) has the molecular formula C20H36I2 and a molecular weight of 530.32 g/mol. Its IUPAC name is 6,7-dibutyl-5,8-diiodododeca-5,7-diene.

Molecular Properties

Compound Name6,7-dibutyl-5,8-diiodododeca-5,7-diene
PubChem CID71360056
Molecular FormulaC20H36I2
Molecular Weight530.32 g/mol
Exact Mass530.09
IUPAC Name6,7-dibutyl-5,8-diiodododeca-5,7-diene
SMILESCCCCC(I)=C(CCCC)C(CCCC)=C(I)CCCC
InChIInChI=1S/C20H36I2/c1-5-9-13-17(19(21)15-11-7-3)18(14-10-6-2)20(22)16-12-8-4/h5-16H2,1-4H3
InChIKeyBHDPYZPPMLFIIC-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.32
LogP ≤ 59.13
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 6,7-dibutyl-5,8-diiodododeca-5,7-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

4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
CID 11248441
(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
2,2'-Diiodo-1,1'-bi(cyclooctene)
CID 129753764
(6Z,8Z)-6,9-diiodo-7,8-dipentyltetradeca-6,8-diene
CID 134887868
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 134888022
(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
CID 135039011
(Z)-7-iodo-8-[(Z)-2-iodoethenyl]tetradec-7-ene
CID 135077883

Frequently Asked Questions

What is the IUPAC name of 6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The IUPAC name of 6,7-dibutyl-5,8-diiodododeca-5,7-diene (CID 71360056) is 6,7-dibutyl-5,8-diiodododeca-5,7-diene.
What is the SMILES notation for 6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The canonical SMILES for 6,7-dibutyl-5,8-diiodododeca-5,7-diene is CCCCC(I)=C(CCCC)C(CCCC)=C(I)CCCC.
What is the InChIKey of 6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The InChIKey is BHDPYZPPMLFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36I2/c1-5-9-13-17(19(21)15-11-7-3)18(14-10-6-2)20(22)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of 6,7-dibutyl-5,8-diiodododeca-5,7-diene?
6,7-dibutyl-5,8-diiodododeca-5,7-diene has a molecular weight of 530.32 g/mol, XLogP of 9.13, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibutyl-5,8-diiodododeca-5,7-diene is sourced from PubChem (CID 71360056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).