3-(3-bromocyclopentyl)oxane

C10H17BrO — CID 107137872

IUPAC3-(3-bromocyclopentyl)oxane
SMILESBrC1CCC(C2CCCOC2)C1
InChIInChI=1S/C10H17BrO/c11-10-4-3-8(6-10)9-2-1-5-12-7-9/h8-10H,1-7H2
InChIKeyNTEKLKHPUDKSBT-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.98
Rot. Bonds1

About 3-(3-bromocyclopentyl)oxane

3-(3-bromocyclopentyl)oxane (PubChem CID 107137872) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-(3-bromocyclopentyl)oxane.

Molecular Properties

Compound Name3-(3-bromocyclopentyl)oxane
PubChem CID107137872
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name3-(3-bromocyclopentyl)oxane
SMILESBrC1CCC(C2CCCOC2)C1
InChIInChI=1S/C10H17BrO/c11-10-4-3-8(6-10)9-2-1-5-12-7-9/h8-10H,1-7H2
InChIKeyNTEKLKHPUDKSBT-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.98
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

(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
(3-bromocyclopentyl)cycloheptane
CID 82925250
3-(3-chlorocycloheptyl)oxane
CID 107137865
5,13-dibromo-9-oxatricyclo[9.4.0.02,7]pentadecane
CID 140539382
N-methyl-3-(oxan-3-yl)cycloheptan-1-amine
CID 107137797
7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154967101
1-(3-bromocyclopentyl)-3-methylcyclohexane
CID 64506480
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380
3-(4-propylcyclohexyl)oxane
CID 150771088
2-(4-bromocyclohexyl)-6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143742441

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromocyclopentyl)oxane?
The IUPAC name of 3-(3-bromocyclopentyl)oxane (CID 107137872) is 3-(3-bromocyclopentyl)oxane.
What is the SMILES notation for 3-(3-bromocyclopentyl)oxane?
The canonical SMILES for 3-(3-bromocyclopentyl)oxane is BrC1CCC(C2CCCOC2)C1.
What is the InChIKey of 3-(3-bromocyclopentyl)oxane?
The InChIKey is NTEKLKHPUDKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c11-10-4-3-8(6-10)9-2-1-5-12-7-9/h8-10H,1-7H2.
What are the key properties of 3-(3-bromocyclopentyl)oxane?
3-(3-bromocyclopentyl)oxane has a molecular weight of 233.15 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocyclopentyl)oxane is sourced from PubChem (CID 107137872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).