3-iodotetradecane

C14H29I — CID 122583608

IUPAC3-iodotetradecane
SMILESCCCCCCCCCCCC(I)CC
InChIInChI=1S/C14H29I/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h14H,3-13H2,1-2H3
InChIKeyAISRGEZPLLWWQK-UHFFFAOYSA-N
MW324.29 g/mol
LogP6.12
Rot. Bonds11

About 3-iodotetradecane

3-iodotetradecane (PubChem CID 122583608) has the molecular formula C14H29I and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-iodotetradecane.

Molecular Properties

Compound Name3-iodotetradecane
PubChem CID122583608
Molecular FormulaC14H29I
Molecular Weight324.29 g/mol
Exact Mass324.13
IUPAC Name3-iodotetradecane
SMILESCCCCCCCCCCCC(I)CC
InChIInChI=1S/C14H29I/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h14H,3-13H2,1-2H3
InChIKeyAISRGEZPLLWWQK-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 56.12
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

6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
1,3-diiodononane
CID 168864693
1-chloro-5-iodopentadecane
CID 122583752
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
9,10-diethyloctadecane
CID 530164
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of 3-iodotetradecane?
The IUPAC name of 3-iodotetradecane (CID 122583608) is 3-iodotetradecane.
What is the SMILES notation for 3-iodotetradecane?
The canonical SMILES for 3-iodotetradecane is CCCCCCCCCCCC(I)CC.
What is the InChIKey of 3-iodotetradecane?
The InChIKey is AISRGEZPLLWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29I/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h14H,3-13H2,1-2H3.
What are the key properties of 3-iodotetradecane?
3-iodotetradecane has a molecular weight of 324.29 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodotetradecane is sourced from PubChem (CID 122583608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).