3-(bromomethyl)-5-methyloctane

C10H21Br — CID 66041043

IUPAC3-(bromomethyl)-5-methyloctane
SMILESCCCC(C)CC(CC)CBr
InChIInChI=1S/C10H21Br/c1-4-6-9(3)7-10(5-2)8-11/h9-10H,4-8H2,1-3H3
InChIKeyGYVAXXPRVNNWTA-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.23
Rot. Bonds6

About 3-(bromomethyl)-5-methyloctane

3-(bromomethyl)-5-methyloctane (PubChem CID 66041043) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methyloctane.

Molecular Properties

Compound Name3-(bromomethyl)-5-methyloctane
PubChem CID66041043
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name3-(bromomethyl)-5-methyloctane
SMILESCCCC(C)CC(CC)CBr
InChIInChI=1S/C10H21Br/c1-4-6-9(3)7-10(5-2)8-11/h9-10H,4-8H2,1-3H3
InChIKeyGYVAXXPRVNNWTA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-4-methyldecane
CID 22224210
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
8-ethyl-4,6-dimethyldodecane
CID 123186055
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
3-(bromomethyl)pentan-1-ol
CID 87203201
3,4,5,9-tetramethyl-7-propyldodecane
CID 91586333
1-bromo-2-(pentan-2-yloxymethyl)butane
CID 102981445

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methyloctane?
The IUPAC name of 3-(bromomethyl)-5-methyloctane (CID 66041043) is 3-(bromomethyl)-5-methyloctane.
What is the SMILES notation for 3-(bromomethyl)-5-methyloctane?
The canonical SMILES for 3-(bromomethyl)-5-methyloctane is CCCC(C)CC(CC)CBr.
What is the InChIKey of 3-(bromomethyl)-5-methyloctane?
The InChIKey is GYVAXXPRVNNWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-4-6-9(3)7-10(5-2)8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(bromomethyl)-5-methyloctane?
3-(bromomethyl)-5-methyloctane has a molecular weight of 221.18 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methyloctane is sourced from PubChem (CID 66041043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).