3-bromo-4-methyldecane

C11H23Br — CID 63560897

IUPAC3-bromo-4-methyldecane
SMILESCCCCCCC(C)C(Br)CC
InChIInChI=1S/C11H23Br/c1-4-6-7-8-9-10(3)11(12)5-2/h10-11H,4-9H2,1-3H3
InChIKeyAKHOEHYESJQWII-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.77
Rot. Bonds7

About 3-bromo-4-methyldecane

3-bromo-4-methyldecane (PubChem CID 63560897) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-bromo-4-methyldecane.

Molecular Properties

Compound Name3-bromo-4-methyldecane
PubChem CID63560897
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name3-bromo-4-methyldecane
SMILESCCCCCCC(C)C(Br)CC
InChIInChI=1S/C11H23Br/c1-4-6-7-8-9-10(3)11(12)5-2/h10-11H,4-9H2,1-3H3
InChIKeyAKHOEHYESJQWII-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.77
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

2-bromo-3-methylundecane
CID 63470862
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
3,4-dimethyldecane;ethane
CID 170980289
3-bromo-2-methyldodecane
CID 63470480
3-bromo-2-methyldecane
CID 63470479
4,5-dimethylnonadecane
CID 123321090
2,3-dimethylnonacosane
CID 71331945
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyldecane?
The IUPAC name of 3-bromo-4-methyldecane (CID 63560897) is 3-bromo-4-methyldecane.
What is the SMILES notation for 3-bromo-4-methyldecane?
The canonical SMILES for 3-bromo-4-methyldecane is CCCCCCC(C)C(Br)CC.
What is the InChIKey of 3-bromo-4-methyldecane?
The InChIKey is AKHOEHYESJQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-4-6-7-8-9-10(3)11(12)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-bromo-4-methyldecane?
3-bromo-4-methyldecane has a molecular weight of 235.21 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyldecane is sourced from PubChem (CID 63560897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).