bis(hexacosane);methane

C54H116 — CID 157430725

IUPACbis(hexacosane);methane
SMILESC.C.CCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/2C26H54.2CH4/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h2*3-26H2,1-2H3;2*1H4
InChIKeyBQMQPHMTTXBUMS-UHFFFAOYSA-N
MW765.52 g/mol
LogP22.05
Rot. Bonds46

About bis(hexacosane);methane

bis(hexacosane);methane (PubChem CID 157430725) has the molecular formula C54H116 and a molecular weight of 765.52 g/mol. Its IUPAC name is bis(hexacosane);methane.

Molecular Properties

Compound Namebis(hexacosane);methane
PubChem CID157430725
Molecular FormulaC54H116
Molecular Weight765.52 g/mol
Exact Mass764.91
IUPAC Namebis(hexacosane);methane
SMILESC.C.CCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/2C26H54.2CH4/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h2*3-26H2,1-2H3;2*1H4
InChIKeyBQMQPHMTTXBUMS-UHFFFAOYSA-N
XLogP22.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds46
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.52
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecane;methane
CID 22277750
bis(hexadecane);methane
CID 161318895
azane;docosane;methane
CID 175254385
butane;pentakis(heptane);methane
CID 160660769
methane;octane;dihydrochloride
CID 174397937
azane;methane;undecane
CID 159407970
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of bis(hexacosane);methane?
The IUPAC name of bis(hexacosane);methane (CID 157430725) is bis(hexacosane);methane.
What is the SMILES notation for bis(hexacosane);methane?
The canonical SMILES for bis(hexacosane);methane is C.C.CCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of bis(hexacosane);methane?
The InChIKey is BQMQPHMTTXBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H54.2CH4/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h2*3-26H2,1-2H3;2*1H4.
What are the key properties of bis(hexacosane);methane?
bis(hexacosane);methane has a molecular weight of 765.52 g/mol, XLogP of 22.05, 46 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexacosane);methane is sourced from PubChem (CID 157430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).