4-[(2-bromocyclopentyl)methyl]oxane

C11H19BrO — CID 62385005

IUPAC4-[(2-bromocyclopentyl)methyl]oxane
SMILESBrC1CCCC1CC1CCOCC1
InChIInChI=1S/C11H19BrO/c12-11-3-1-2-10(11)8-9-4-6-13-7-5-9/h9-11H,1-8H2
InChIKeyVRRHZYUIRTXPFR-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.37
Rot. Bonds2

About 4-[(2-bromocyclopentyl)methyl]oxane

4-[(2-bromocyclopentyl)methyl]oxane (PubChem CID 62385005) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 4-[(2-bromocyclopentyl)methyl]oxane.

Molecular Properties

Compound Name4-[(2-bromocyclopentyl)methyl]oxane
PubChem CID62385005
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name4-[(2-bromocyclopentyl)methyl]oxane
SMILESBrC1CCCC1CC1CCOCC1
InChIInChI=1S/C11H19BrO/c12-11-3-1-2-10(11)8-9-4-6-13-7-5-9/h9-11H,1-8H2
InChIKeyVRRHZYUIRTXPFR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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 4-[(2-bromocyclopentyl)methyl]oxane?
The IUPAC name of 4-[(2-bromocyclopentyl)methyl]oxane (CID 62385005) is 4-[(2-bromocyclopentyl)methyl]oxane.
What is the SMILES notation for 4-[(2-bromocyclopentyl)methyl]oxane?
The canonical SMILES for 4-[(2-bromocyclopentyl)methyl]oxane is BrC1CCCC1CC1CCOCC1.
What is the InChIKey of 4-[(2-bromocyclopentyl)methyl]oxane?
The InChIKey is VRRHZYUIRTXPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c12-11-3-1-2-10(11)8-9-4-6-13-7-5-9/h9-11H,1-8H2.
What are the key properties of 4-[(2-bromocyclopentyl)methyl]oxane?
4-[(2-bromocyclopentyl)methyl]oxane has a molecular weight of 247.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromocyclopentyl)methyl]oxane is sourced from PubChem (CID 62385005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).