2-bromo-3-methylundecane

C12H25Br — CID 63470862

IUPAC2-bromo-3-methylundecane
SMILESCCCCCCCCC(C)C(C)Br
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-11(2)12(3)13/h11-12H,4-10H2,1-3H3
InChIKeyPDDANTMNBATYOU-UHFFFAOYSA-N
MW249.24 g/mol
LogP5.16
Rot. Bonds8

About 2-bromo-3-methylundecane

2-bromo-3-methylundecane (PubChem CID 63470862) has the molecular formula C12H25Br and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-bromo-3-methylundecane.

Molecular Properties

Compound Name2-bromo-3-methylundecane
PubChem CID63470862
Molecular FormulaC12H25Br
Molecular Weight249.24 g/mol
Exact Mass248.11
IUPAC Name2-bromo-3-methylundecane
SMILESCCCCCCCCC(C)C(C)Br
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-11(2)12(3)13/h11-12H,4-10H2,1-3H3
InChIKeyPDDANTMNBATYOU-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
3-bromo-4-methyldecane
CID 63560897
4,5-dimethylnonadecane
CID 123321090
2,3-dimethylnonacosane
CID 71331945
5,6,14,15-tetramethylnonadecane
CID 123473711
8-methyl-7-pentylhexadecane
CID 123739023
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylundecane?
The IUPAC name of 2-bromo-3-methylundecane (CID 63470862) is 2-bromo-3-methylundecane.
What is the SMILES notation for 2-bromo-3-methylundecane?
The canonical SMILES for 2-bromo-3-methylundecane is CCCCCCCCC(C)C(C)Br.
What is the InChIKey of 2-bromo-3-methylundecane?
The InChIKey is PDDANTMNBATYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-11(2)12(3)13/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-bromo-3-methylundecane?
2-bromo-3-methylundecane has a molecular weight of 249.24 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylundecane is sourced from PubChem (CID 63470862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).