1-bromo-2-(2-methoxyethoxymethyl)pentane

C9H19BrO2 — CID 65011102

IUPAC1-bromo-2-(2-methoxyethoxymethyl)pentane
SMILESCCCC(CBr)COCCOC
InChIInChI=1S/C9H19BrO2/c1-3-4-9(7-10)8-12-6-5-11-2/h9H,3-8H2,1-2H3
InChIKeyPIWVUVDMUMGBBC-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.46
Rot. Bonds8

About 1-bromo-2-(2-methoxyethoxymethyl)pentane

1-bromo-2-(2-methoxyethoxymethyl)pentane (PubChem CID 65011102) has the molecular formula C9H19BrO2 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-bromo-2-(2-methoxyethoxymethyl)pentane.

Molecular Properties

Compound Name1-bromo-2-(2-methoxyethoxymethyl)pentane
PubChem CID65011102
Molecular FormulaC9H19BrO2
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name1-bromo-2-(2-methoxyethoxymethyl)pentane
SMILESCCCC(CBr)COCCOC
InChIInChI=1S/C9H19BrO2/c1-3-4-9(7-10)8-12-6-5-11-2/h9H,3-8H2,1-2H3
InChIKeyPIWVUVDMUMGBBC-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(3-methoxypropoxymethyl)pentane
CID 65010988
3-(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459617
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937
1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
CID 104561219
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
1-bromo-4-[2-(bromomethyl)pentoxy]benzene
CID 65010976
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050
4-(butoxymethyl)nonane
CID 87066766

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methoxyethoxymethyl)pentane?
The IUPAC name of 1-bromo-2-(2-methoxyethoxymethyl)pentane (CID 65011102) is 1-bromo-2-(2-methoxyethoxymethyl)pentane.
What is the SMILES notation for 1-bromo-2-(2-methoxyethoxymethyl)pentane?
The canonical SMILES for 1-bromo-2-(2-methoxyethoxymethyl)pentane is CCCC(CBr)COCCOC.
What is the InChIKey of 1-bromo-2-(2-methoxyethoxymethyl)pentane?
The InChIKey is PIWVUVDMUMGBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO2/c1-3-4-9(7-10)8-12-6-5-11-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(2-methoxyethoxymethyl)pentane?
1-bromo-2-(2-methoxyethoxymethyl)pentane has a molecular weight of 239.15 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methoxyethoxymethyl)pentane is sourced from PubChem (CID 65011102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).