2,6-diiodo-9,14-dimethylhexadecane

C18H36I2 — CID 126602592

IUPAC2,6-diiodo-9,14-dimethylhexadecane
SMILESCCC(C)CCCCC(C)CCC(I)CCCC(C)I
InChIInChI=1S/C18H36I2/c1-5-15(2)9-6-7-10-16(3)13-14-18(20)12-8-11-17(4)19/h15-18H,5-14H2,1-4H3
InChIKeyVVGLDQDYJJVTJJ-UHFFFAOYSA-N
MW506.29 g/mol
LogP7.81
Rot. Bonds13

About 2,6-diiodo-9,14-dimethylhexadecane

2,6-diiodo-9,14-dimethylhexadecane (PubChem CID 126602592) has the molecular formula C18H36I2 and a molecular weight of 506.29 g/mol. Its IUPAC name is 2,6-diiodo-9,14-dimethylhexadecane.

Molecular Properties

Compound Name2,6-diiodo-9,14-dimethylhexadecane
PubChem CID126602592
Molecular FormulaC18H36I2
Molecular Weight506.29 g/mol
Exact Mass506.09
IUPAC Name2,6-diiodo-9,14-dimethylhexadecane
SMILESCCC(C)CCCCC(C)CCC(I)CCCC(C)I
InChIInChI=1S/C18H36I2/c1-5-15(2)9-6-7-10-16(3)13-14-18(20)12-8-11-17(4)19/h15-18H,5-14H2,1-4H3
InChIKeyVVGLDQDYJJVTJJ-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.29
LogP ≤ 57.81
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

(3R,7R)-3,7-dimethylnonane
CID 42626759
2,6,10,15,19-pentamethylhenicosane
CID 6428617
3,7,15-trimethylnonacosane
CID 6430417
2,6,13-trimethylpentadecane
CID 123742386
3-ethyl-6,11-dimethyltridecane
CID 123237146
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
(3R,6S)-3,6-dimethyldecane
CID 170848353
magnesium;2-methanidyl-6-methyloctane;chloride
CID 168763498
3,17-dimethylhentriacontane
CID 6431060
2,11,23-trimethylpentacosane
CID 123728262

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-9,14-dimethylhexadecane?
The IUPAC name of 2,6-diiodo-9,14-dimethylhexadecane (CID 126602592) is 2,6-diiodo-9,14-dimethylhexadecane.
What is the SMILES notation for 2,6-diiodo-9,14-dimethylhexadecane?
The canonical SMILES for 2,6-diiodo-9,14-dimethylhexadecane is CCC(C)CCCCC(C)CCC(I)CCCC(C)I.
What is the InChIKey of 2,6-diiodo-9,14-dimethylhexadecane?
The InChIKey is VVGLDQDYJJVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36I2/c1-5-15(2)9-6-7-10-16(3)13-14-18(20)12-8-11-17(4)19/h15-18H,5-14H2,1-4H3.
What are the key properties of 2,6-diiodo-9,14-dimethylhexadecane?
2,6-diiodo-9,14-dimethylhexadecane has a molecular weight of 506.29 g/mol, XLogP of 7.81, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-9,14-dimethylhexadecane is sourced from PubChem (CID 126602592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).