4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane

C15H25BrO — CID 79924283

IUPAC4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
SMILESBrC1CCC(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25BrO/c16-14-5-4-12(10-14)13-6-9-17-15(11-13)7-2-1-3-8-15/h12-14H,1-11H2
InChIKeyVLVIMRBTXPEQSG-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.68
Rot. Bonds1

About 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane

4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane (PubChem CID 79924283) has the molecular formula C15H25BrO and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
PubChem CID79924283
Molecular FormulaC15H25BrO
Molecular Weight301.27 g/mol
Exact Mass300.11
IUPAC Name4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
SMILESBrC1CCC(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25BrO/c16-14-5-4-12(10-14)13-6-9-17-15(11-13)7-2-1-3-8-15/h12-14H,1-11H2
InChIKeyVLVIMRBTXPEQSG-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.68
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

4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
3-(3-bromocyclopentyl)oxane
CID 107137872
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane (CID 79924283) is 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane is BrC1CCC(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane?
The InChIKey is VLVIMRBTXPEQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO/c16-14-5-4-12(10-14)13-6-9-17-15(11-13)7-2-1-3-8-15/h12-14H,1-11H2.
What are the key properties of 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane?
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane has a molecular weight of 301.27 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 79924283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).