heptadecane;dihydroiodide

C17H38I2 — CID 87987371

IUPACheptadecane;dihydroiodide
SMILESCCCCCCCCCCCCCCCCC.I.I
InChIInChI=1S/C17H36.2HI/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-17H2,1-2H3;2*1H
InChIKeyWAOBBQVCRRTZMX-UHFFFAOYSA-N
MW496.30 g/mol
LogP8.11
Rot. Bonds14

About heptadecane;dihydroiodide

heptadecane;dihydroiodide (PubChem CID 87987371) has the molecular formula C17H38I2 and a molecular weight of 496.30 g/mol. Its IUPAC name is heptadecane;dihydroiodide.

Molecular Properties

Compound Nameheptadecane;dihydroiodide
PubChem CID87987371
Molecular FormulaC17H38I2
Molecular Weight496.30 g/mol
Exact Mass496.11
IUPAC Nameheptadecane;dihydroiodide
SMILESCCCCCCCCCCCCCCCCC.I.I
InChIInChI=1S/C17H36.2HI/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-17H2,1-2H3;2*1H
InChIKeyWAOBBQVCRRTZMX-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.30
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(heptane);dihydroiodide
CID 173372979
hexacosane;hydroiodide
CID 175873194
triacontane;hydroiodide
CID 175873189
decane;trihydroiodide
CID 172732531
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of heptadecane;dihydroiodide?
The IUPAC name of heptadecane;dihydroiodide (CID 87987371) is heptadecane;dihydroiodide.
What is the SMILES notation for heptadecane;dihydroiodide?
The canonical SMILES for heptadecane;dihydroiodide is CCCCCCCCCCCCCCCCC.I.I.
What is the InChIKey of heptadecane;dihydroiodide?
The InChIKey is WAOBBQVCRRTZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.2HI/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-17H2,1-2H3;2*1H.
What are the key properties of heptadecane;dihydroiodide?
heptadecane;dihydroiodide has a molecular weight of 496.30 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane;dihydroiodide is sourced from PubChem (CID 87987371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).