6-bromo-2-ethoxy-2-methylheptane

C10H21BrO — CID 22749731

IUPAC6-bromo-2-ethoxy-2-methylheptane
SMILESCCOC(C)(C)CCCC(C)Br
InChIInChI=1S/C10H21BrO/c1-5-12-10(3,4)8-6-7-9(2)11/h9H,5-8H2,1-4H3
InChIKeyGZBZQWTYDAGCNM-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.76
Rot. Bonds6

About 6-bromo-2-ethoxy-2-methylheptane

6-bromo-2-ethoxy-2-methylheptane (PubChem CID 22749731) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-bromo-2-ethoxy-2-methylheptane.

Molecular Properties

Compound Name6-bromo-2-ethoxy-2-methylheptane
PubChem CID22749731
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name6-bromo-2-ethoxy-2-methylheptane
SMILESCCOC(C)(C)CCCC(C)Br
InChIInChI=1S/C10H21BrO/c1-5-12-10(3,4)8-6-7-9(2)11/h9H,5-8H2,1-4H3
InChIKeyGZBZQWTYDAGCNM-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.76
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 6-bromo-2-ethoxy-2-methylheptane?
The IUPAC name of 6-bromo-2-ethoxy-2-methylheptane (CID 22749731) is 6-bromo-2-ethoxy-2-methylheptane.
What is the SMILES notation for 6-bromo-2-ethoxy-2-methylheptane?
The canonical SMILES for 6-bromo-2-ethoxy-2-methylheptane is CCOC(C)(C)CCCC(C)Br.
What is the InChIKey of 6-bromo-2-ethoxy-2-methylheptane?
The InChIKey is GZBZQWTYDAGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-5-12-10(3,4)8-6-7-9(2)11/h9H,5-8H2,1-4H3.
What are the key properties of 6-bromo-2-ethoxy-2-methylheptane?
6-bromo-2-ethoxy-2-methylheptane has a molecular weight of 237.18 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethoxy-2-methylheptane is sourced from PubChem (CID 22749731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).