(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene

C16H29I — CID 11371460

IUPAC(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene
SMILESCCC/C=C(CCC)/C(CCC)=C(\I)CCC
InChIInChI=1S/C16H29I/c1-5-9-13-14(10-6-2)15(11-7-3)16(17)12-8-4/h13H,5-12H2,1-4H3/b14-13+,16-15-
InChIKeySFSMVMFRVUBYGE-MSBKQZQESA-N
MW348.31 g/mol
LogP6.80
Rot. Bonds9

About (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene

(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene (PubChem CID 11371460) has the molecular formula C16H29I and a molecular weight of 348.31 g/mol. Its IUPAC name is (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene
PubChem CID11371460
Molecular FormulaC16H29I
Molecular Weight348.31 g/mol
Exact Mass348.13
IUPAC Name(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene
SMILESCCC/C=C(CCC)/C(CCC)=C(\I)CCC
InChIInChI=1S/C16H29I/c1-5-9-13-14(10-6-2)15(11-7-3)16(17)12-8-4/h13H,5-12H2,1-4H3/b14-13+,16-15-
InChIKeySFSMVMFRVUBYGE-MSBKQZQESA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.31
LogP ≤ 56.80
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

(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
5,8-Dibutyldodeca-5,7-diene
CID 13639295
1-Methyl-4-propylcyclohexa-1,3-diene
CID 14815299
Butylidenecyclododecane
CID 13734811
1-Isopropylidene-3-n-butyl-2-cyclobutene
CID 10261257
1-Penta-2,3-dien-2-ylcyclohexene
CID 11994846
1-Butyl-6-iodocyclohepta-1,3,5-triene
CID 12752699
1-Butylcyclododecene
CID 13901343
(2E)-3-Methyl-4-methylideneoct-2-ene
CID 121232771
5,6-Dipropyldeca-4,6-diene
CID 11123092
5-Prop-2-enylidenenonane
CID 11457893
1,1'-Bi(cyclododecene)
CID 13901342

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene?
The IUPAC name of (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene (CID 11371460) is (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene.
What is the SMILES notation for (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene?
The canonical SMILES for (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene is CCC/C=C(CCC)/C(CCC)=C(\I)CCC.
What is the InChIKey of (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene?
The InChIKey is SFSMVMFRVUBYGE-MSBKQZQESA-N. The full InChI is InChI=1S/C16H29I/c1-5-9-13-14(10-6-2)15(11-7-3)16(17)12-8-4/h13H,5-12H2,1-4H3/b14-13+,16-15-.
What are the key properties of (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene?
(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene has a molecular weight of 348.31 g/mol, XLogP of 6.80, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene is sourced from PubChem (CID 11371460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).