2-iodooctadecane

C18H37I — CID 138596673

IUPAC2-iodooctadecane
SMILESCCCCCCCCCCCCCCCCC(C)I
InChIInChI=1S/C18H37I/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18H,3-17H2,1-2H3
InChIKeyRFPLSGGRRCBHFQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP7.68
Rot. Bonds15

About 2-iodooctadecane

2-iodooctadecane (PubChem CID 138596673) has the molecular formula C18H37I and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-iodooctadecane.

Molecular Properties

Compound Name2-iodooctadecane
PubChem CID138596673
Molecular FormulaC18H37I
Molecular Weight380.40 g/mol
Exact Mass380.19
IUPAC Name2-iodooctadecane
SMILESCCCCCCCCCCCCCCCCC(C)I
InChIInChI=1S/C18H37I/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18H,3-17H2,1-2H3
InChIKeyRFPLSGGRRCBHFQ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 57.68
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'}

Analyze 2-iodooctadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;9-(3-iodobutyl)heptadecane
CID 174406409
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
2,3-diiododecane
CID 14475432
1-(4-iodopentoxymethoxy)decane
CID 172535184
1,8-diiodononane
CID 168864675
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375
12,22-dimethylhexatriacontane
CID 6430382
10,18-dimethyloctacosane
CID 86203537
(7R)-7-methyltetradecane
CID 163036465

Frequently Asked Questions

What is the IUPAC name of 2-iodooctadecane?
The IUPAC name of 2-iodooctadecane (CID 138596673) is 2-iodooctadecane.
What is the SMILES notation for 2-iodooctadecane?
The canonical SMILES for 2-iodooctadecane is CCCCCCCCCCCCCCCCC(C)I.
What is the InChIKey of 2-iodooctadecane?
The InChIKey is RFPLSGGRRCBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37I/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18H,3-17H2,1-2H3.
What are the key properties of 2-iodooctadecane?
2-iodooctadecane has a molecular weight of 380.40 g/mol, XLogP of 7.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodooctadecane is sourced from PubChem (CID 138596673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).