(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene

C20H36I2 — CID 11635110

IUPAC(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
SMILESCCCC/C(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/b19-17-,20-18-
InChIKeyBHDPYZPPMLFIIC-CLFAGFIQSA-N
MW530.32 g/mol
LogP9.13
Rot. Bonds13

About (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene

(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene (PubChem CID 11635110) has the molecular formula C20H36I2 and a molecular weight of 530.32 g/mol. Its IUPAC name is (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
PubChem CID11635110
Molecular FormulaC20H36I2
Molecular Weight530.32 g/mol
Exact Mass530.09
IUPAC Name(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
SMILESCCCC/C(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/b19-17-,20-18-
InChIKeyBHDPYZPPMLFIIC-CLFAGFIQSA-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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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
(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
3-Nonan-5-ylidene-1,2-dipropylcyclobutene
CID 138963747

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The IUPAC name of (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene (CID 11635110) is (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene.
What is the SMILES notation for (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The canonical SMILES for (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene is CCCC/C(I)=C(CCCC)/C(CCCC)=C(\I)CCCC.
What is the InChIKey of (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene?
The InChIKey is BHDPYZPPMLFIIC-CLFAGFIQSA-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/b19-17-,20-18-.
What are the key properties of (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene?
(5Z,7Z)-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 (5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene is sourced from PubChem (CID 11635110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).