4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane

C10H19BrO2S — CID 65004335

IUPAC4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane
SMILESCOCCSCC1(CBr)CCOCC1
InChIInChI=1S/C10H19BrO2S/c1-12-6-7-14-9-10(8-11)2-4-13-5-3-10/h2-9H2,1H3
InChIKeyGIWOWYDYRNUTOM-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.56
Rot. Bonds6

About 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane

4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane (PubChem CID 65004335) has the molecular formula C10H19BrO2S and a molecular weight of 283.23 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane.

Molecular Properties

Compound Name4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane
PubChem CID65004335
Molecular FormulaC10H19BrO2S
Molecular Weight283.23 g/mol
Exact Mass282.03
IUPAC Name4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane
SMILESCOCCSCC1(CBr)CCOCC1
InChIInChI=1S/C10H19BrO2S/c1-12-6-7-14-9-10(8-11)2-4-13-5-3-10/h2-9H2,1H3
InChIKeyGIWOWYDYRNUTOM-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane?
The IUPAC name of 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane (CID 65004335) is 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane.
What is the SMILES notation for 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane?
The canonical SMILES for 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane is COCCSCC1(CBr)CCOCC1.
What is the InChIKey of 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane?
The InChIKey is GIWOWYDYRNUTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2S/c1-12-6-7-14-9-10(8-11)2-4-13-5-3-10/h2-9H2,1H3.
What are the key properties of 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane?
4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane has a molecular weight of 283.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(2-methoxyethylsulfanylmethyl)oxane is sourced from PubChem (CID 65004335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).