6-iodo-7-methyldodec-6-ene

C13H25I — CID 71334644

IUPAC6-iodo-7-methyldodec-6-ene
SMILESCCCCCC(C)=C(I)CCCCC
InChIInChI=1S/C13H25I/c1-4-6-8-10-12(3)13(14)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyHEEPCISTDLLADF-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.86
Rot. Bonds8

About 6-iodo-7-methyldodec-6-ene

6-iodo-7-methyldodec-6-ene (PubChem CID 71334644) has the molecular formula C13H25I and a molecular weight of 308.25 g/mol. Its IUPAC name is 6-iodo-7-methyldodec-6-ene.

Molecular Properties

Compound Name6-iodo-7-methyldodec-6-ene
PubChem CID71334644
Molecular FormulaC13H25I
Molecular Weight308.25 g/mol
Exact Mass308.10
IUPAC Name6-iodo-7-methyldodec-6-ene
SMILESCCCCCC(C)=C(I)CCCCC
InChIInChI=1S/C13H25I/c1-4-6-8-10-12(3)13(14)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyHEEPCISTDLLADF-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8,9-dimethylhexadec-8-ene
CID 140717938
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(E)-3,4-dimethylicos-3-ene
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3-methyloctadec-2-en-2-amine
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10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
(E)-6-methyl-5-propylundec-5-en-4-one
CID 134874879
(E)-1,2-diiodohept-1-ene
CID 15312157
(E)-2,3-diiodohept-2-ene-1,1,1-triol
CID 118275607
3-methylhept-2-en-2-ol
CID 73309482

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methyldodec-6-ene?
The IUPAC name of 6-iodo-7-methyldodec-6-ene (CID 71334644) is 6-iodo-7-methyldodec-6-ene.
What is the SMILES notation for 6-iodo-7-methyldodec-6-ene?
The canonical SMILES for 6-iodo-7-methyldodec-6-ene is CCCCCC(C)=C(I)CCCCC.
What is the InChIKey of 6-iodo-7-methyldodec-6-ene?
The InChIKey is HEEPCISTDLLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25I/c1-4-6-8-10-12(3)13(14)11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of 6-iodo-7-methyldodec-6-ene?
6-iodo-7-methyldodec-6-ene has a molecular weight of 308.25 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-methyldodec-6-ene is sourced from PubChem (CID 71334644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).