6-iodododecane

C12H25I — CID 19090932

IUPAC6-iodododecane
SMILESCCCCCCC(I)CCCCC
InChIInChI=1S/C12H25I/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyXVUACXUMOLJAGB-UHFFFAOYSA-N
MW296.24 g/mol
LogP5.34
Rot. Bonds9

About 6-iodododecane

6-iodododecane (PubChem CID 19090932) has the molecular formula C12H25I and a molecular weight of 296.24 g/mol. Its IUPAC name is 6-iodododecane.

Molecular Properties

Compound Name6-iodododecane
PubChem CID19090932
Molecular FormulaC12H25I
Molecular Weight296.24 g/mol
Exact Mass296.10
IUPAC Name6-iodododecane
SMILESCCCCCCC(I)CCCCC
InChIInChI=1S/C12H25I/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeyXVUACXUMOLJAGB-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 55.34
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

7-iodotetradecane
CID 87229248
1,3-diiodononane
CID 168864693
3-iodotetradecane
CID 122583608
1-chloro-5-iodopentadecane
CID 122583752
(4S)-4-iodooctane
CID 97300695
2-iodooctadecane
CID 138596673
1-iodoundecan-1-amine
CID 19076849
1-iodohexacosan-1-ol
CID 87167039
1-iodononatriacontane-1-thiol
CID 87857448
1-iodooctane-1-thiol
CID 90280398
methyl 10-iodooctadecanoate
CID 15157108
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679

Frequently Asked Questions

What is the IUPAC name of 6-iodododecane?
The IUPAC name of 6-iodododecane (CID 19090932) is 6-iodododecane.
What is the SMILES notation for 6-iodododecane?
The canonical SMILES for 6-iodododecane is CCCCCCC(I)CCCCC.
What is the InChIKey of 6-iodododecane?
The InChIKey is XVUACXUMOLJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25I/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 6-iodododecane?
6-iodododecane has a molecular weight of 296.24 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodododecane is sourced from PubChem (CID 19090932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).