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'}

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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).