3-bromo-2-methyldecane

C11H23Br — CID 63470479

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

About 3-bromo-2-methyldecane

3-bromo-2-methyldecane (PubChem CID 63470479) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-bromo-2-methyldecane.

Molecular Properties

Compound Name3-bromo-2-methyldecane
PubChem CID63470479
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name3-bromo-2-methyldecane
SMILESCCCCCCCC(Br)C(C)C
InChIInChI=1S/C11H23Br/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyDNALXHRONYXYBL-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

3-bromo-2-methyldodecane
CID 63470480
3-bromo-7-ethyl-2-methylundecane
CID 64508771
3-bromo-4-methyldecane
CID 63560897
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-bromo-3-methylundecane
CID 63470862
6-bromo-5-propyltridecane
CID 174956937
10-bromo-9-(bromomethyl)nonadecane
CID 175002797
8-propan-2-ylpentadecane
CID 153475308
2-methyl-3-propan-2-yltetradecane
CID 154298453
6-propan-2-yltridecane
CID 123704479
2,3-dimethylnonacosane
CID 71331945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyldecane?
The IUPAC name of 3-bromo-2-methyldecane (CID 63470479) is 3-bromo-2-methyldecane.
What is the SMILES notation for 3-bromo-2-methyldecane?
The canonical SMILES for 3-bromo-2-methyldecane is CCCCCCCC(Br)C(C)C.
What is the InChIKey of 3-bromo-2-methyldecane?
The InChIKey is DNALXHRONYXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-bromo-2-methyldecane?
3-bromo-2-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-2-methyldecane is sourced from PubChem (CID 63470479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).