6-bromo-2-ethoxy-7-methyldecane

C13H27BrO — CID 146413793

IUPAC6-bromo-2-ethoxy-7-methyldecane
SMILESCCCC(C)C(Br)CCCC(C)OCC
InChIInChI=1S/C13H27BrO/c1-5-8-11(3)13(14)10-7-9-12(4)15-6-2/h11-13H,5-10H2,1-4H3
InChIKeyKMRMPKXAQOAWPP-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.78
Rot. Bonds9

About 6-bromo-2-ethoxy-7-methyldecane

6-bromo-2-ethoxy-7-methyldecane (PubChem CID 146413793) has the molecular formula C13H27BrO and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-bromo-2-ethoxy-7-methyldecane.

Molecular Properties

Compound Name6-bromo-2-ethoxy-7-methyldecane
PubChem CID146413793
Molecular FormulaC13H27BrO
Molecular Weight279.26 g/mol
Exact Mass278.12
IUPAC Name6-bromo-2-ethoxy-7-methyldecane
SMILESCCCC(C)C(Br)CCCC(C)OCC
InChIInChI=1S/C13H27BrO/c1-5-8-11(3)13(14)10-7-9-12(4)15-6-2/h11-13H,5-10H2,1-4H3
InChIKeyKMRMPKXAQOAWPP-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.78
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-7-methyldecane?
The IUPAC name of 6-bromo-2-ethoxy-7-methyldecane (CID 146413793) is 6-bromo-2-ethoxy-7-methyldecane.
What is the SMILES notation for 6-bromo-2-ethoxy-7-methyldecane?
The canonical SMILES for 6-bromo-2-ethoxy-7-methyldecane is CCCC(C)C(Br)CCCC(C)OCC.
What is the InChIKey of 6-bromo-2-ethoxy-7-methyldecane?
The InChIKey is KMRMPKXAQOAWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrO/c1-5-8-11(3)13(14)10-7-9-12(4)15-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 6-bromo-2-ethoxy-7-methyldecane?
6-bromo-2-ethoxy-7-methyldecane has a molecular weight of 279.26 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethoxy-7-methyldecane is sourced from PubChem (CID 146413793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).