undecane;dihydrobromide

C11H26Br2 — CID 172838591

IUPACundecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCC
InChIInChI=1S/C11H24.2BrH/c1-3-5-7-9-11-10-8-6-4-2;;/h3-11H2,1-2H3;2*1H
InChIKeyWMHZEINBZSXNKT-UHFFFAOYSA-N
MW318.14 g/mol
LogP5.69
Rot. Bonds8

About undecane;dihydrobromide

undecane;dihydrobromide (PubChem CID 172838591) has the molecular formula C11H26Br2 and a molecular weight of 318.14 g/mol. Its IUPAC name is undecane;dihydrobromide.

Molecular Properties

Compound Nameundecane;dihydrobromide
PubChem CID172838591
Molecular FormulaC11H26Br2
Molecular Weight318.14 g/mol
Exact Mass316.04
IUPAC Nameundecane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCC
InChIInChI=1S/C11H24.2BrH/c1-3-5-7-9-11-10-8-6-4-2;;/h3-11H2,1-2H3;2*1H
InChIKeyWMHZEINBZSXNKT-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.14
LogP ≤ 55.69
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

azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of undecane;dihydrobromide?
The IUPAC name of undecane;dihydrobromide (CID 172838591) is undecane;dihydrobromide.
What is the SMILES notation for undecane;dihydrobromide?
The canonical SMILES for undecane;dihydrobromide is Br.Br.CCCCCCCCCCC.
What is the InChIKey of undecane;dihydrobromide?
The InChIKey is WMHZEINBZSXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2BrH/c1-3-5-7-9-11-10-8-6-4-2;;/h3-11H2,1-2H3;2*1H.
What are the key properties of undecane;dihydrobromide?
undecane;dihydrobromide has a molecular weight of 318.14 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecane;dihydrobromide is sourced from PubChem (CID 172838591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).