bis(decane);hexane

C26H58 — CID 158666782

IUPACbis(decane);hexane
SMILESCCCCCC.CCCCCCCCCC.CCCCCCCCCC
InChIInChI=1S/2C10H22.C6H14/c2*1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h2*3-10H2,1-2H3;3-6H2,1-2H3
InChIKeyIDLNZLZGWCANTD-UHFFFAOYSA-N
MW370.75 g/mol
LogP10.88
Rot. Bonds17

About bis(decane);hexane

bis(decane);hexane (PubChem CID 158666782) has the molecular formula C26H58 and a molecular weight of 370.75 g/mol. Its IUPAC name is bis(decane);hexane.

Molecular Properties

Compound Namebis(decane);hexane
PubChem CID158666782
Molecular FormulaC26H58
Molecular Weight370.75 g/mol
Exact Mass370.45
IUPAC Namebis(decane);hexane
SMILESCCCCCC.CCCCCCCCCC.CCCCCCCCCC
InChIInChI=1S/2C10H22.C6H14/c2*1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h2*3-10H2,1-2H3;3-6H2,1-2H3
InChIKeyIDLNZLZGWCANTD-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 510.88
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of bis(decane);hexane?
The IUPAC name of bis(decane);hexane (CID 158666782) is bis(decane);hexane.
What is the SMILES notation for bis(decane);hexane?
The canonical SMILES for bis(decane);hexane is CCCCCC.CCCCCCCCCC.CCCCCCCCCC.
What is the InChIKey of bis(decane);hexane?
The InChIKey is IDLNZLZGWCANTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22.C6H14/c2*1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h2*3-10H2,1-2H3;3-6H2,1-2H3.
What are the key properties of bis(decane);hexane?
bis(decane);hexane has a molecular weight of 370.75 g/mol, XLogP of 10.88, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(decane);hexane is sourced from PubChem (CID 158666782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).