5-(2-bromoethyl)-2,2-dimethyloxolane

C8H15BrO — CID 167735084

IUPAC5-(2-bromoethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CCBr)O1
InChIInChI=1S/C8H15BrO/c1-8(2)5-3-7(10-8)4-6-9/h7H,3-6H2,1-2H3
InChIKeyUPSJPRNPWJBPNQ-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds2

About 5-(2-bromoethyl)-2,2-dimethyloxolane

5-(2-bromoethyl)-2,2-dimethyloxolane (PubChem CID 167735084) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 5-(2-bromoethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(2-bromoethyl)-2,2-dimethyloxolane
PubChem CID167735084
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name5-(2-bromoethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CCBr)O1
InChIInChI=1S/C8H15BrO/c1-8(2)5-3-7(10-8)4-6-9/h7H,3-6H2,1-2H3
InChIKeyUPSJPRNPWJBPNQ-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
6-(Bromomethyl)-2,2-dimethyloxane
CID 126970875
2-[2-(Bromomethyl)butyl]oxolane
CID 66041849
3-(3-Bromobutyl)-2,2-dimethyloxirane
CID 72810176
6-Bromo-2-ethoxy-2-methylheptane
CID 22749731
4-Bromo-2,2-diethyloxolane
CID 22958852
(3S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 57809648
2-Bromo-5-ethyl-3,4-dimethyloxolane
CID 59075061
(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 59426770
2-(4-Bromo-3-methylbutyl)oxolane
CID 64670594
(3S,4S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 118119197
[5-(1-Bromo-3-methylbutyl)oxolan-2-ylidene]osmium
CID 142087673

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(2-bromoethyl)-2,2-dimethyloxolane (CID 167735084) is 5-(2-bromoethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(2-bromoethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(2-bromoethyl)-2,2-dimethyloxolane is CC1(C)CCC(CCBr)O1.
What is the InChIKey of 5-(2-bromoethyl)-2,2-dimethyloxolane?
The InChIKey is UPSJPRNPWJBPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-8(2)5-3-7(10-8)4-6-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-(2-bromoethyl)-2,2-dimethyloxolane?
5-(2-bromoethyl)-2,2-dimethyloxolane 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 5-(2-bromoethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 167735084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).