4-bromo-2,2-diethyloxolane

C8H15BrO — CID 22958852

IUPAC4-bromo-2,2-diethyloxolane
SMILESCCC1(CC)CC(Br)CO1
InChIInChI=1S/C8H15BrO/c1-3-8(4-2)5-7(9)6-10-8/h7H,3-6H2,1-2H3
InChIKeyKKEQBCXQPJKJAB-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds2

About 4-bromo-2,2-diethyloxolane

4-bromo-2,2-diethyloxolane (PubChem CID 22958852) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-bromo-2,2-diethyloxolane.

Molecular Properties

Compound Name4-bromo-2,2-diethyloxolane
PubChem CID22958852
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name4-bromo-2,2-diethyloxolane
SMILESCCC1(CC)CC(Br)CO1
InChIInChI=1S/C8H15BrO/c1-3-8(4-2)5-7(9)6-10-8/h7H,3-6H2,1-2H3
InChIKeyKKEQBCXQPJKJAB-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Bromomethyl)-2,2-dimethyloxolane
CID 67034646
5-(2-Bromoethyl)-2,2-dimethyloxolane
CID 167735084
2-(Bromomethyl)-2-methyloxolane
CID 13042890
3-Bromo-1-oxaspiro[4.5]decane
CID 85584887
2-(Bromomethyl)-2,5,5-trimethyloxolane
CID 130583089
4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
2-(2-Bromoethyl)-3-methyloxolane
CID 137935940
3-(2-Bromopropyl)oxolane
CID 165792194
(r)-(+)-1-Bromo-6-t-butoxy-4-methylhexane
CID 129775794
2-(Bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane
CID 165445842
CID 177798765
CID 177798765
3-Bromo-2,2-dimethyloxolane
CID 13487498

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-diethyloxolane?
The IUPAC name of 4-bromo-2,2-diethyloxolane (CID 22958852) is 4-bromo-2,2-diethyloxolane.
What is the SMILES notation for 4-bromo-2,2-diethyloxolane?
The canonical SMILES for 4-bromo-2,2-diethyloxolane is CCC1(CC)CC(Br)CO1.
What is the InChIKey of 4-bromo-2,2-diethyloxolane?
The InChIKey is KKEQBCXQPJKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-3-8(4-2)5-7(9)6-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2,2-diethyloxolane?
4-bromo-2,2-diethyloxolane has a molecular weight of 207.11 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-diethyloxolane is sourced from PubChem (CID 22958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).