4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane

C10H17BrO2 — CID 65004533

IUPAC4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
SMILESC=CCOCC1(CBr)CCOCC1
InChIInChI=1S/C10H17BrO2/c1-2-5-13-9-10(8-11)3-6-12-7-4-10/h2H,1,3-9H2
InChIKeyIEWLQESWEBQCCU-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.38
Rot. Bonds5

About 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane

4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane (PubChem CID 65004533) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
PubChem CID65004533
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
SMILESC=CCOCC1(CBr)CCOCC1
InChIInChI=1S/C10H17BrO2/c1-2-5-13-9-10(8-11)3-6-12-7-4-10/h2H,1,3-9H2
InChIKeyIEWLQESWEBQCCU-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
1-bromo-1-(prop-2-enoxymethyl)cyclopropane
CID 155943507
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
CID 77052712
4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
CID 65004580
4-(bromomethyl)-4-[(2,4,6-triiodophenoxy)methyl]oxane
CID 65004481
4-(bromomethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]oxane
CID 66050172
4-(bromomethyl)-4-butyloxane
CID 66048650
4-(bromomethyl)-4-[(4-methylsulfanylphenoxy)methyl]oxane
CID 65004434
4-(bromomethyl)-4-[(2-ethylphenoxy)methyl]oxane
CID 65004786
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
4-(bromomethyl)-4-(ethylsulfonylmethyl)oxane
CID 65004666

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane?
The IUPAC name of 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane (CID 65004533) is 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane?
The canonical SMILES for 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane is C=CCOCC1(CBr)CCOCC1.
What is the InChIKey of 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane?
The InChIKey is IEWLQESWEBQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-2-5-13-9-10(8-11)3-6-12-7-4-10/h2H,1,3-9H2.
What are the key properties of 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane?
4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane has a molecular weight of 249.15 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 65004533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).