1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane

C20H41BrO — CID 58771185

IUPAC1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane
SMILESCOC(C)(CBr)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H41BrO/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5,16-21)22-6/h17-19H,7-16H2,1-6H3
InChIKeyNDFDGDVTNVUHLK-UHFFFAOYSA-N
MW377.45 g/mol
LogP7.23
Rot. Bonds14

About 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane

1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane (PubChem CID 58771185) has the molecular formula C20H41BrO and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane.

Molecular Properties

Compound Name1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane
PubChem CID58771185
Molecular FormulaC20H41BrO
Molecular Weight377.45 g/mol
Exact Mass376.23
IUPAC Name1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane
SMILESCOC(C)(CBr)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H41BrO/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5,16-21)22-6/h17-19H,7-16H2,1-6H3
InChIKeyNDFDGDVTNVUHLK-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 57.23
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 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane?
The IUPAC name of 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane (CID 58771185) is 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane.
What is the SMILES notation for 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane?
The canonical SMILES for 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane is COC(C)(CBr)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane?
The InChIKey is NDFDGDVTNVUHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41BrO/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5,16-21)22-6/h17-19H,7-16H2,1-6H3.
What are the key properties of 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane?
1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane has a molecular weight of 377.45 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-2,6,10,14-tetramethylpentadecane is sourced from PubChem (CID 58771185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).