10-bromo-2-methoxy-2,6-dimethylundecane

C14H29BrO — CID 22749754

IUPAC10-bromo-2-methoxy-2,6-dimethylundecane
SMILESCOC(C)(C)CCCC(C)CCCC(C)Br
InChIInChI=1S/C14H29BrO/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h12-13H,6-11H2,1-5H3
InChIKeyBMZGCLVKPKGQJA-UHFFFAOYSA-N
MW293.29 g/mol
LogP5.17
Rot. Bonds9

About 10-bromo-2-methoxy-2,6-dimethylundecane

10-bromo-2-methoxy-2,6-dimethylundecane (PubChem CID 22749754) has the molecular formula C14H29BrO and a molecular weight of 293.29 g/mol. Its IUPAC name is 10-bromo-2-methoxy-2,6-dimethylundecane.

Molecular Properties

Compound Name10-bromo-2-methoxy-2,6-dimethylundecane
PubChem CID22749754
Molecular FormulaC14H29BrO
Molecular Weight293.29 g/mol
Exact Mass292.14
IUPAC Name10-bromo-2-methoxy-2,6-dimethylundecane
SMILESCOC(C)(C)CCCC(C)CCCC(C)Br
InChIInChI=1S/C14H29BrO/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h12-13H,6-11H2,1-5H3
InChIKeyBMZGCLVKPKGQJA-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.29
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-methoxy-2,6-dimethylundecane?
The IUPAC name of 10-bromo-2-methoxy-2,6-dimethylundecane (CID 22749754) is 10-bromo-2-methoxy-2,6-dimethylundecane.
What is the SMILES notation for 10-bromo-2-methoxy-2,6-dimethylundecane?
The canonical SMILES for 10-bromo-2-methoxy-2,6-dimethylundecane is COC(C)(C)CCCC(C)CCCC(C)Br.
What is the InChIKey of 10-bromo-2-methoxy-2,6-dimethylundecane?
The InChIKey is BMZGCLVKPKGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h12-13H,6-11H2,1-5H3.
What are the key properties of 10-bromo-2-methoxy-2,6-dimethylundecane?
10-bromo-2-methoxy-2,6-dimethylundecane has a molecular weight of 293.29 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-methoxy-2,6-dimethylundecane is sourced from PubChem (CID 22749754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).