triacontane;hydroiodide

C30H63I — CID 175873189

IUPACtriacontane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C30H62.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-30H2,1-2H3;1H
InChIKeyZGUACDRVSSPEIQ-UHFFFAOYSA-N
MW550.74 g/mol
LogP12.57
Rot. Bonds27

About triacontane;hydroiodide

triacontane;hydroiodide (PubChem CID 175873189) has the molecular formula C30H63I and a molecular weight of 550.74 g/mol. Its IUPAC name is triacontane;hydroiodide.

Molecular Properties

Compound Nametriacontane;hydroiodide
PubChem CID175873189
Molecular FormulaC30H63I
Molecular Weight550.74 g/mol
Exact Mass550.40
IUPAC Nametriacontane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C30H62.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-30H2,1-2H3;1H
InChIKeyZGUACDRVSSPEIQ-UHFFFAOYSA-N
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 512.57
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
decane;trihydroiodide
CID 172732531
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
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of triacontane;hydroiodide?
The IUPAC name of triacontane;hydroiodide (CID 175873189) is triacontane;hydroiodide.
What is the SMILES notation for triacontane;hydroiodide?
The canonical SMILES for triacontane;hydroiodide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.I.
What is the InChIKey of triacontane;hydroiodide?
The InChIKey is ZGUACDRVSSPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-30H2,1-2H3;1H.
What are the key properties of triacontane;hydroiodide?
triacontane;hydroiodide has a molecular weight of 550.74 g/mol, XLogP of 12.57, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triacontane;hydroiodide is sourced from PubChem (CID 175873189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).