1-iododeca-3,6-diene

C10H17I — CID 71329252

IUPAC1-iododeca-3,6-diene
SMILESCCCC=CCC=CCCI
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyLFEKTGAXFLZVPK-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.11
Rot. Bonds6

About 1-iododeca-3,6-diene

1-iododeca-3,6-diene (PubChem CID 71329252) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-iododeca-3,6-diene.

Molecular Properties

Compound Name1-iododeca-3,6-diene
PubChem CID71329252
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name1-iododeca-3,6-diene
SMILESCCCC=CCC=CCCI
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyLFEKTGAXFLZVPK-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(4Z,8E)-dodeca-4,8-diene
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(4E,8E)-dodeca-4,8-diene
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ethane;(E)-oct-4-ene
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18-iodooctadeca-6,9-diene
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(4Z,7Z)-hexadeca-4,7-diene
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CID 91231689
docosa-4,7,11-triene
CID 141035180
(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
CID 102425049
(3E,6E,9E)-trideca-3,6,9-trienenitrile
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(3E,6E,10E)-tetradeca-3,6,10-trienenitrile
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Frequently Asked Questions

What is the IUPAC name of 1-iododeca-3,6-diene?
The IUPAC name of 1-iododeca-3,6-diene (CID 71329252) is 1-iododeca-3,6-diene.
What is the SMILES notation for 1-iododeca-3,6-diene?
The canonical SMILES for 1-iododeca-3,6-diene is CCCC=CCC=CCCI.
What is the InChIKey of 1-iododeca-3,6-diene?
The InChIKey is LFEKTGAXFLZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h4-5,7-8H,2-3,6,9-10H2,1H3.
What are the key properties of 1-iododeca-3,6-diene?
1-iododeca-3,6-diene has a molecular weight of 264.15 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iododeca-3,6-diene is sourced from PubChem (CID 71329252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).