4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane

C14H25BrO2 — CID 66343303

IUPAC4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
SMILESCCC1(CC)C(Br)CC1OCC1CCOCC1
InChIInChI=1S/C14H25BrO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-5-7-16-8-6-11/h11-13H,3-10H2,1-2H3
InChIKeyFSOJBZXVRIHWGB-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.77
Rot. Bonds5

About 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane

4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane (PubChem CID 66343303) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane.

Molecular Properties

Compound Name4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
PubChem CID66343303
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
SMILESCCC1(CC)C(Br)CC1OCC1CCOCC1
InChIInChI=1S/C14H25BrO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-5-7-16-8-6-11/h11-13H,3-10H2,1-2H3
InChIKeyFSOJBZXVRIHWGB-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane?
The IUPAC name of 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane (CID 66343303) is 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane.
What is the SMILES notation for 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane?
The canonical SMILES for 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane is CCC1(CC)C(Br)CC1OCC1CCOCC1.
What is the InChIKey of 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane?
The InChIKey is FSOJBZXVRIHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-5-7-16-8-6-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane?
4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane has a molecular weight of 305.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane is sourced from PubChem (CID 66343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).