bis(heptane);dihydroiodide

C14H34I2 — CID 173372979

IUPACbis(heptane);dihydroiodide
SMILESCCCCCCC.CCCCCCC.I.I
InChIInChI=1S/2C7H16.2HI/c2*1-3-5-7-6-4-2;;/h2*3-7H2,1-2H3;2*1H
InChIKeyDPKDLLGBRMJFDW-UHFFFAOYSA-N
MW456.23 g/mol
LogP7.19
Rot. Bonds8

About bis(heptane);dihydroiodide

bis(heptane);dihydroiodide (PubChem CID 173372979) has the molecular formula C14H34I2 and a molecular weight of 456.23 g/mol. Its IUPAC name is bis(heptane);dihydroiodide.

Molecular Properties

Compound Namebis(heptane);dihydroiodide
PubChem CID173372979
Molecular FormulaC14H34I2
Molecular Weight456.23 g/mol
Exact Mass456.07
IUPAC Namebis(heptane);dihydroiodide
SMILESCCCCCCC.CCCCCCC.I.I
InChIInChI=1S/2C7H16.2HI/c2*1-3-5-7-6-4-2;;/h2*3-7H2,1-2H3;2*1H
InChIKeyDPKDLLGBRMJFDW-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.23
LogP ≤ 57.19
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

hexacosane;hydroiodide
CID 175873194
triacontane;hydroiodide
CID 175873189
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
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of bis(heptane);dihydroiodide?
The IUPAC name of bis(heptane);dihydroiodide (CID 173372979) is bis(heptane);dihydroiodide.
What is the SMILES notation for bis(heptane);dihydroiodide?
The canonical SMILES for bis(heptane);dihydroiodide is CCCCCCC.CCCCCCC.I.I.
What is the InChIKey of bis(heptane);dihydroiodide?
The InChIKey is DPKDLLGBRMJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.2HI/c2*1-3-5-7-6-4-2;;/h2*3-7H2,1-2H3;2*1H.
What are the key properties of bis(heptane);dihydroiodide?
bis(heptane);dihydroiodide has a molecular weight of 456.23 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(heptane);dihydroiodide is sourced from PubChem (CID 173372979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).