2,3-diiododecane

C10H20I2 — CID 14475432

IUPAC2,3-diiododecane
SMILESCCCCCCCC(I)C(C)I
InChIInChI=1S/C10H20I2/c1-3-4-5-6-7-8-10(12)9(2)11/h9-10H,3-8H2,1-2H3
InChIKeyCYEZTVGTLVUAMP-UHFFFAOYSA-N
MW394.08 g/mol
LogP4.97
Rot. Bonds7

About 2,3-diiododecane

2,3-diiododecane (PubChem CID 14475432) has the molecular formula C10H20I2 and a molecular weight of 394.08 g/mol. Its IUPAC name is 2,3-diiododecane.

Molecular Properties

Compound Name2,3-diiododecane
PubChem CID14475432
Molecular FormulaC10H20I2
Molecular Weight394.08 g/mol
Exact Mass393.97
IUPAC Name2,3-diiododecane
SMILESCCCCCCCC(I)C(C)I
InChIInChI=1S/C10H20I2/c1-3-4-5-6-7-8-10(12)9(2)11/h9-10H,3-8H2,1-2H3
InChIKeyCYEZTVGTLVUAMP-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.08
LogP ≤ 54.97
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'}

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Related Compounds

2-iodooctadecane
CID 138596673
(2R,3S)-3-iodo-2-methoxyundecane
CID 100927296
7-iodotetradecane
CID 87229248
6-iodododecane
CID 19090932
1,1-dichloroheptane
CID 13184
2-methyltetratriacontane
CID 14275207
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
11,12-dimethyloctacosane
CID 23345853
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202

Frequently Asked Questions

What is the IUPAC name of 2,3-diiododecane?
The IUPAC name of 2,3-diiododecane (CID 14475432) is 2,3-diiododecane.
What is the SMILES notation for 2,3-diiododecane?
The canonical SMILES for 2,3-diiododecane is CCCCCCCC(I)C(C)I.
What is the InChIKey of 2,3-diiododecane?
The InChIKey is CYEZTVGTLVUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20I2/c1-3-4-5-6-7-8-10(12)9(2)11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,3-diiododecane?
2,3-diiododecane has a molecular weight of 394.08 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiododecane is sourced from PubChem (CID 14475432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).