4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane

C14H23BrO2 — CID 79920154

IUPAC4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
SMILESBrC1CCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H23BrO2/c15-13-3-1-2-12(13)11-4-7-17-14(10-11)5-8-16-9-6-14/h11-13H,1-10H2
InChIKeyPORRKFXAYXVDAY-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.53
Rot. Bonds1

About 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane

4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane (PubChem CID 79920154) has the molecular formula C14H23BrO2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
PubChem CID79920154
Molecular FormulaC14H23BrO2
Molecular Weight303.24 g/mol
Exact Mass302.09
IUPAC Name4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
SMILESBrC1CCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H23BrO2/c15-13-3-1-2-12(13)11-4-7-17-14(10-11)5-8-16-9-6-14/h11-13H,1-10H2
InChIKeyPORRKFXAYXVDAY-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.53
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

9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
4-(2-bromocyclopentyl)oxane
CID 63937502
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane (CID 79920154) is 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane is BrC1CCCC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The InChIKey is PORRKFXAYXVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2/c15-13-3-1-2-12(13)11-4-7-17-14(10-11)5-8-16-9-6-14/h11-13H,1-10H2.
What are the key properties of 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane?
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane has a molecular weight of 303.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 79920154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).