7-(4-iodobutyl)tridecane

C17H35I — CID 155905887

IUPAC7-(4-iodobutyl)tridecane
SMILESCCCCCCC(CCCCI)CCCCCC
InChIInChI=1S/C17H35I/c1-3-5-7-9-13-17(15-11-12-16-18)14-10-8-6-4-2/h17H,3-16H2,1-2H3
InChIKeyHESUPPYRYJEFIM-UHFFFAOYSA-N
MW366.37 g/mol
LogP7.15
Rot. Bonds14

About 7-(4-iodobutyl)tridecane

7-(4-iodobutyl)tridecane (PubChem CID 155905887) has the molecular formula C17H35I and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-(4-iodobutyl)tridecane.

Molecular Properties

Compound Name7-(4-iodobutyl)tridecane
PubChem CID155905887
Molecular FormulaC17H35I
Molecular Weight366.37 g/mol
Exact Mass366.18
IUPAC Name7-(4-iodobutyl)tridecane
SMILESCCCCCCC(CCCCI)CCCCCC
InChIInChI=1S/C17H35I/c1-3-5-7-9-13-17(15-11-12-16-18)14-10-8-6-4-2/h17H,3-16H2,1-2H3
InChIKeyHESUPPYRYJEFIM-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 57.15
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

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 7-(4-iodobutyl)tridecane?
The IUPAC name of 7-(4-iodobutyl)tridecane (CID 155905887) is 7-(4-iodobutyl)tridecane.
What is the SMILES notation for 7-(4-iodobutyl)tridecane?
The canonical SMILES for 7-(4-iodobutyl)tridecane is CCCCCCC(CCCCI)CCCCCC.
What is the InChIKey of 7-(4-iodobutyl)tridecane?
The InChIKey is HESUPPYRYJEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35I/c1-3-5-7-9-13-17(15-11-12-16-18)14-10-8-6-4-2/h17H,3-16H2,1-2H3.
What are the key properties of 7-(4-iodobutyl)tridecane?
7-(4-iodobutyl)tridecane has a molecular weight of 366.37 g/mol, XLogP of 7.15, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-iodobutyl)tridecane is sourced from PubChem (CID 155905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).