1-bromo-9-ethoxy-4,9-dimethylundecane

C15H31BrO — CID 22749782

IUPAC1-bromo-9-ethoxy-4,9-dimethylundecane
SMILESCCOC(C)(CC)CCCCC(C)CCCBr
InChIInChI=1S/C15H31BrO/c1-5-15(4,17-6-2)12-8-7-10-14(3)11-9-13-16/h14H,5-13H2,1-4H3
InChIKeyUEWQCPQTENOSOP-UHFFFAOYSA-N
MW307.32 g/mol
LogP5.56
Rot. Bonds11

About 1-bromo-9-ethoxy-4,9-dimethylundecane

1-bromo-9-ethoxy-4,9-dimethylundecane (PubChem CID 22749782) has the molecular formula C15H31BrO and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-bromo-9-ethoxy-4,9-dimethylundecane.

Molecular Properties

Compound Name1-bromo-9-ethoxy-4,9-dimethylundecane
PubChem CID22749782
Molecular FormulaC15H31BrO
Molecular Weight307.32 g/mol
Exact Mass306.16
IUPAC Name1-bromo-9-ethoxy-4,9-dimethylundecane
SMILESCCOC(C)(CC)CCCCC(C)CCCBr
InChIInChI=1S/C15H31BrO/c1-5-15(4,17-6-2)12-8-7-10-14(3)11-9-13-16/h14H,5-13H2,1-4H3
InChIKeyUEWQCPQTENOSOP-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.32
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-ethoxy-4,9-dimethylundecane?
The IUPAC name of 1-bromo-9-ethoxy-4,9-dimethylundecane (CID 22749782) is 1-bromo-9-ethoxy-4,9-dimethylundecane.
What is the SMILES notation for 1-bromo-9-ethoxy-4,9-dimethylundecane?
The canonical SMILES for 1-bromo-9-ethoxy-4,9-dimethylundecane is CCOC(C)(CC)CCCCC(C)CCCBr.
What is the InChIKey of 1-bromo-9-ethoxy-4,9-dimethylundecane?
The InChIKey is UEWQCPQTENOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrO/c1-5-15(4,17-6-2)12-8-7-10-14(3)11-9-13-16/h14H,5-13H2,1-4H3.
What are the key properties of 1-bromo-9-ethoxy-4,9-dimethylundecane?
1-bromo-9-ethoxy-4,9-dimethylundecane has a molecular weight of 307.32 g/mol, XLogP of 5.56, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-ethoxy-4,9-dimethylundecane is sourced from PubChem (CID 22749782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).