3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane

C10H21BrO2 — CID 66050495

IUPAC3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
SMILESCCC(C)(CBr)CCOCCOC
InChIInChI=1S/C10H21BrO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4-9H2,1-3H3
InChIKeyVIVOEQUTIGGIFH-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.85
Rot. Bonds8

About 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane

3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane (PubChem CID 66050495) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
PubChem CID66050495
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
SMILESCCC(C)(CBr)CCOCCOC
InChIInChI=1S/C10H21BrO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4-9H2,1-3H3
InChIKeyVIVOEQUTIGGIFH-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.85
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-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3,4-dimethylpentane
CID 104568791
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
CID 79453623
3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
CID 79452780
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane?
The IUPAC name of 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane (CID 66050495) is 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane.
What is the SMILES notation for 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane?
The canonical SMILES for 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane is CCC(C)(CBr)CCOCCOC.
What is the InChIKey of 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane?
The InChIKey is VIVOEQUTIGGIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-4-10(2,9-11)5-6-13-8-7-12-3/h4-9H2,1-3H3.
What are the key properties of 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane?
3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane has a molecular weight of 253.18 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane is sourced from PubChem (CID 66050495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).