2-(bromomethyl)-2-(oxolan-2-yl)oxolane

C9H15BrO2 — CID 165443348

IUPAC2-(bromomethyl)-2-(oxolan-2-yl)oxolane
SMILESBrCC1(C2CCCO2)CCCO1
InChIInChI=1S/C9H15BrO2/c10-7-9(4-2-6-12-9)8-3-1-5-11-8/h8H,1-7H2
InChIKeyGHQMFCWXPRCECS-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.11
Rot. Bonds2

About 2-(bromomethyl)-2-(oxolan-2-yl)oxolane

2-(bromomethyl)-2-(oxolan-2-yl)oxolane (PubChem CID 165443348) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(oxolan-2-yl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(oxolan-2-yl)oxolane
PubChem CID165443348
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name2-(bromomethyl)-2-(oxolan-2-yl)oxolane
SMILESBrCC1(C2CCCO2)CCCO1
InChIInChI=1S/C9H15BrO2/c10-7-9(4-2-6-12-9)8-3-1-5-11-8/h8H,1-7H2
InChIKeyGHQMFCWXPRCECS-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylcyclohexyl)oxolane
CID 23594551
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786
(2-cyclohexyloxolan-2-yl)methanol
CID 130689922
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
2-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxolan-2-yl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolane
CID 90267990
2-(1,2,2-trimethylcyclooctyl)oxocane
CID 174920418
1-(2-cyclobutyloxolan-2-yl)-N-methylmethanamine
CID 130609933
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
CID 130583331
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
2-[1-(chloromethyl)cyclobutyl]oxane
CID 165443357
1-(oxan-2-yl)cyclopropan-1-ol
CID 54404305

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-(oxolan-2-yl)oxolane?
The IUPAC name of 2-(bromomethyl)-2-(oxolan-2-yl)oxolane (CID 165443348) is 2-(bromomethyl)-2-(oxolan-2-yl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-2-(oxolan-2-yl)oxolane?
The canonical SMILES for 2-(bromomethyl)-2-(oxolan-2-yl)oxolane is BrCC1(C2CCCO2)CCCO1.
What is the InChIKey of 2-(bromomethyl)-2-(oxolan-2-yl)oxolane?
The InChIKey is GHQMFCWXPRCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c10-7-9(4-2-6-12-9)8-3-1-5-11-8/h8H,1-7H2.
What are the key properties of 2-(bromomethyl)-2-(oxolan-2-yl)oxolane?
2-(bromomethyl)-2-(oxolan-2-yl)oxolane has a molecular weight of 235.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(oxolan-2-yl)oxolane is sourced from PubChem (CID 165443348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).