1-iodo-1-(1-iodohexoxy)hexane

C12H24I2O — CID 87803004

IUPAC1-iodo-1-(1-iodohexoxy)hexane
SMILESCCCCCC(I)OC(I)CCCCC
InChIInChI=1S/C12H24I2O/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyWZBGAMVQCRWPDZ-UHFFFAOYSA-N
MW438.13 g/mol
LogP5.69
Rot. Bonds10

About 1-iodo-1-(1-iodohexoxy)hexane

1-iodo-1-(1-iodohexoxy)hexane (PubChem CID 87803004) has the molecular formula C12H24I2O and a molecular weight of 438.13 g/mol. Its IUPAC name is 1-iodo-1-(1-iodohexoxy)hexane.

Molecular Properties

Compound Name1-iodo-1-(1-iodohexoxy)hexane
PubChem CID87803004
Molecular FormulaC12H24I2O
Molecular Weight438.13 g/mol
Exact Mass437.99
IUPAC Name1-iodo-1-(1-iodohexoxy)hexane
SMILESCCCCCC(I)OC(I)CCCCC
InChIInChI=1S/C12H24I2O/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyWZBGAMVQCRWPDZ-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.13
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-iodoundecoxy(trimethyl)silane
CID 22215334
bis(1-iodoheptadecyl) carbonate
CID 165175402
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
1-iododecyl acetate
CID 155063034
1-iodopentoxysilane
CID 173081223
1-iodooctyl nitrate
CID 87604424
1-iododecyl hydrogen sulfite
CID 175160280
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
2-iodooctadecane
CID 138596673
6-tricosan-6-yloxytricosane
CID 57279617
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-(1-iodohexoxy)hexane?
The IUPAC name of 1-iodo-1-(1-iodohexoxy)hexane (CID 87803004) is 1-iodo-1-(1-iodohexoxy)hexane.
What is the SMILES notation for 1-iodo-1-(1-iodohexoxy)hexane?
The canonical SMILES for 1-iodo-1-(1-iodohexoxy)hexane is CCCCCC(I)OC(I)CCCCC.
What is the InChIKey of 1-iodo-1-(1-iodohexoxy)hexane?
The InChIKey is WZBGAMVQCRWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24I2O/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-iodo-1-(1-iodohexoxy)hexane?
1-iodo-1-(1-iodohexoxy)hexane has a molecular weight of 438.13 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-(1-iodohexoxy)hexane is sourced from PubChem (CID 87803004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).