3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane

C13H27BrO2 — CID 112587495

IUPAC3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane
SMILESCCC(CC)(CBr)COCCOC(C)(C)C
InChIInChI=1S/C13H27BrO2/c1-6-13(7-2,10-14)11-15-8-9-16-12(3,4)5/h6-11H2,1-5H3
InChIKeyYEEDTJBCLBBXSC-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.02
Rot. Bonds8

About 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane

3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane (PubChem CID 112587495) has the molecular formula C13H27BrO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane.

Molecular Properties

Compound Name3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane
PubChem CID112587495
Molecular FormulaC13H27BrO2
Molecular Weight295.26 g/mol
Exact Mass294.12
IUPAC Name3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane
SMILESCCC(CC)(CBr)COCCOC(C)(C)C
InChIInChI=1S/C13H27BrO2/c1-6-13(7-2,10-14)11-15-8-9-16-12(3,4)5/h6-11H2,1-5H3
InChIKeyYEEDTJBCLBBXSC-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.02
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

1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propane
CID 122607174
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
3-(bromomethyl)-3-(hexoxymethyl)pentane
CID 64998360
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
CID 103985337
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 123858699
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane?
The IUPAC name of 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane (CID 112587495) is 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane.
What is the SMILES notation for 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane?
The canonical SMILES for 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane is CCC(CC)(CBr)COCCOC(C)(C)C.
What is the InChIKey of 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane?
The InChIKey is YEEDTJBCLBBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrO2/c1-6-13(7-2,10-14)11-15-8-9-16-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane?
3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane has a molecular weight of 295.26 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane is sourced from PubChem (CID 112587495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).