10-iododeca-1,3-diene

C10H17I — CID 168861651

IUPAC10-iododeca-1,3-diene
SMILESC=CC=CCCCCCCI
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h2-4H,1,5-10H2
InChIKeyXKPMGTMPJINLDQ-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.11
Rot. Bonds7

About 10-iododeca-1,3-diene

10-iododeca-1,3-diene (PubChem CID 168861651) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 10-iododeca-1,3-diene.

Molecular Properties

Compound Name10-iododeca-1,3-diene
PubChem CID168861651
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name10-iododeca-1,3-diene
SMILESC=CC=CCCCCCCI
InChIInChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h2-4H,1,5-10H2
InChIKeyXKPMGTMPJINLDQ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 10-iododeca-1,3-diene?
The IUPAC name of 10-iododeca-1,3-diene (CID 168861651) is 10-iododeca-1,3-diene.
What is the SMILES notation for 10-iododeca-1,3-diene?
The canonical SMILES for 10-iododeca-1,3-diene is C=CC=CCCCCCCI.
What is the InChIKey of 10-iododeca-1,3-diene?
The InChIKey is XKPMGTMPJINLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c1-2-3-4-5-6-7-8-9-10-11/h2-4H,1,5-10H2.
What are the key properties of 10-iododeca-1,3-diene?
10-iododeca-1,3-diene has a molecular weight of 264.15 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iododeca-1,3-diene is sourced from PubChem (CID 168861651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).