2-[(2-bromocyclohexyl)methyl]oxolane

C11H19BrO — CID 62550189

IUPAC2-[(2-bromocyclohexyl)methyl]oxolane
SMILESBrC1CCCCC1CC1CCCO1
InChIInChI=1S/C11H19BrO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h9-11H,1-8H2
InChIKeyNQJFWPFJUQCFPE-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.51
Rot. Bonds2

About 2-[(2-bromocyclohexyl)methyl]oxolane

2-[(2-bromocyclohexyl)methyl]oxolane (PubChem CID 62550189) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-[(2-bromocyclohexyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(2-bromocyclohexyl)methyl]oxolane
PubChem CID62550189
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name2-[(2-bromocyclohexyl)methyl]oxolane
SMILESBrC1CCCCC1CC1CCCO1
InChIInChI=1S/C11H19BrO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h9-11H,1-8H2
InChIKeyNQJFWPFJUQCFPE-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(2-bromocyclohexyl)methyl]oxolane?
The IUPAC name of 2-[(2-bromocyclohexyl)methyl]oxolane (CID 62550189) is 2-[(2-bromocyclohexyl)methyl]oxolane.
What is the SMILES notation for 2-[(2-bromocyclohexyl)methyl]oxolane?
The canonical SMILES for 2-[(2-bromocyclohexyl)methyl]oxolane is BrC1CCCCC1CC1CCCO1.
What is the InChIKey of 2-[(2-bromocyclohexyl)methyl]oxolane?
The InChIKey is NQJFWPFJUQCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h9-11H,1-8H2.
What are the key properties of 2-[(2-bromocyclohexyl)methyl]oxolane?
2-[(2-bromocyclohexyl)methyl]oxolane has a molecular weight of 247.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromocyclohexyl)methyl]oxolane is sourced from PubChem (CID 62550189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).