2-bromo-4-methyl-6-methylideneoctane

C10H19Br — CID 66037621

IUPAC2-bromo-4-methyl-6-methylideneoctane
SMILESC=C(CC)CC(C)CC(C)Br
InChIInChI=1S/C10H19Br/c1-5-8(2)6-9(3)7-10(4)11/h9-10H,2,5-7H2,1,3-4H3
InChIKeyNJHVRZVSZHDQJY-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.15
Rot. Bonds5

About 2-bromo-4-methyl-6-methylideneoctane

2-bromo-4-methyl-6-methylideneoctane (PubChem CID 66037621) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-methylideneoctane.

Molecular Properties

Compound Name2-bromo-4-methyl-6-methylideneoctane
PubChem CID66037621
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name2-bromo-4-methyl-6-methylideneoctane
SMILESC=C(CC)CC(C)CC(C)Br
InChIInChI=1S/C10H19Br/c1-5-8(2)6-9(3)7-10(4)11/h9-10H,2,5-7H2,1,3-4H3
InChIKeyNJHVRZVSZHDQJY-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-methylideneoctane?
The IUPAC name of 2-bromo-4-methyl-6-methylideneoctane (CID 66037621) is 2-bromo-4-methyl-6-methylideneoctane.
What is the SMILES notation for 2-bromo-4-methyl-6-methylideneoctane?
The canonical SMILES for 2-bromo-4-methyl-6-methylideneoctane is C=C(CC)CC(C)CC(C)Br.
What is the InChIKey of 2-bromo-4-methyl-6-methylideneoctane?
The InChIKey is NJHVRZVSZHDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-5-8(2)6-9(3)7-10(4)11/h9-10H,2,5-7H2,1,3-4H3.
What are the key properties of 2-bromo-4-methyl-6-methylideneoctane?
2-bromo-4-methyl-6-methylideneoctane has a molecular weight of 219.17 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-methylideneoctane is sourced from PubChem (CID 66037621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).