2,2-dimethylundecane;hydrobromide

C13H29Br — CID 172814192

IUPAC2,2-dimethylundecane;hydrobromide
SMILESBr.CCCCCCCCCC(C)(C)C
InChIInChI=1S/C13H28.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H
InChIKeySPCWSWANBAZWJF-UHFFFAOYSA-N
MW265.28 g/mol
LogP5.75
Rot. Bonds7

About 2,2-dimethylundecane;hydrobromide

2,2-dimethylundecane;hydrobromide (PubChem CID 172814192) has the molecular formula C13H29Br and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,2-dimethylundecane;hydrobromide.

Molecular Properties

Compound Name2,2-dimethylundecane;hydrobromide
PubChem CID172814192
Molecular FormulaC13H29Br
Molecular Weight265.28 g/mol
Exact Mass264.15
IUPAC Name2,2-dimethylundecane;hydrobromide
SMILESBr.CCCCCCCCCC(C)(C)C
InChIInChI=1S/C13H28.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H
InChIKeySPCWSWANBAZWJF-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.28
LogP ≤ 55.75
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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dichlorozinc;2,2-dimethyloctane
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2,2-dimethylhexane
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CID 176613705
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
azane;2,2-dimethylhexane
CID 161105081
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylundecane;hydrobromide?
The IUPAC name of 2,2-dimethylundecane;hydrobromide (CID 172814192) is 2,2-dimethylundecane;hydrobromide.
What is the SMILES notation for 2,2-dimethylundecane;hydrobromide?
The canonical SMILES for 2,2-dimethylundecane;hydrobromide is Br.CCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylundecane;hydrobromide?
The InChIKey is SPCWSWANBAZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H.
What are the key properties of 2,2-dimethylundecane;hydrobromide?
2,2-dimethylundecane;hydrobromide has a molecular weight of 265.28 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylundecane;hydrobromide is sourced from PubChem (CID 172814192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).