decane;trihydroiodide

C10H25I3 — CID 172732531

IUPACdecane;trihydroiodide
SMILESCCCCCCCCCC.I.I.I
InChIInChI=1S/C10H22.3HI/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;3*1H
InChIKeyHZIWHQMYAYJVRH-UHFFFAOYSA-N
MW526.02 g/mol
LogP6.00
Rot. Bonds7

About decane;trihydroiodide

decane;trihydroiodide (PubChem CID 172732531) has the molecular formula C10H25I3 and a molecular weight of 526.02 g/mol. Its IUPAC name is decane;trihydroiodide.

Molecular Properties

Compound Namedecane;trihydroiodide
PubChem CID172732531
Molecular FormulaC10H25I3
Molecular Weight526.02 g/mol
Exact Mass525.91
IUPAC Namedecane;trihydroiodide
SMILESCCCCCCCCCC.I.I.I
InChIInChI=1S/C10H22.3HI/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;3*1H
InChIKeyHZIWHQMYAYJVRH-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.02
LogP ≤ 56.00
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
heptadecane;dihydroiodide
CID 87987371
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of decane;trihydroiodide?
The IUPAC name of decane;trihydroiodide (CID 172732531) is decane;trihydroiodide.
What is the SMILES notation for decane;trihydroiodide?
The canonical SMILES for decane;trihydroiodide is CCCCCCCCCC.I.I.I.
What is the InChIKey of decane;trihydroiodide?
The InChIKey is HZIWHQMYAYJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.3HI/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;3*1H.
What are the key properties of decane;trihydroiodide?
decane;trihydroiodide has a molecular weight of 526.02 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decane;trihydroiodide is sourced from PubChem (CID 172732531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).