bis(hexadecane);methane

C33H72 — CID 161318895

IUPACbis(hexadecane);methane
SMILESC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC
InChIInChI=1S/2C16H34.CH4/c2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3;1H4
InChIKeyVJWJFBBXBVPHJK-UHFFFAOYSA-N
MW468.94 g/mol
LogP13.61
Rot. Bonds26

About bis(hexadecane);methane

bis(hexadecane);methane (PubChem CID 161318895) has the molecular formula C33H72 and a molecular weight of 468.94 g/mol. Its IUPAC name is bis(hexadecane);methane.

Molecular Properties

Compound Namebis(hexadecane);methane
PubChem CID161318895
Molecular FormulaC33H72
Molecular Weight468.94 g/mol
Exact Mass468.56
IUPAC Namebis(hexadecane);methane
SMILESC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC
InChIInChI=1S/2C16H34.CH4/c2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3;1H4
InChIKeyVJWJFBBXBVPHJK-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 513.61
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

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bis(hexacosane);methane
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azane;docosane;methane
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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(hexadecane);methane?
The IUPAC name of bis(hexadecane);methane (CID 161318895) is bis(hexadecane);methane.
What is the SMILES notation for bis(hexadecane);methane?
The canonical SMILES for bis(hexadecane);methane is C.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.
What is the InChIKey of bis(hexadecane);methane?
The InChIKey is VJWJFBBXBVPHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H34.CH4/c2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3;1H4.
What are the key properties of bis(hexadecane);methane?
bis(hexadecane);methane has a molecular weight of 468.94 g/mol, XLogP of 13.61, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexadecane);methane is sourced from PubChem (CID 161318895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).