4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane

C15H25ClO — CID 79919900

IUPAC4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
SMILESClC1CCCC1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25ClO/c16-14-6-4-5-13(14)12-7-10-17-15(11-12)8-2-1-3-9-15/h12-14H,1-11H2
InChIKeyHPHXFYPFWIWFCB-UHFFFAOYSA-N
MW256.82 g/mol
LogP4.52
Rot. Bonds1

About 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane

4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane (PubChem CID 79919900) has the molecular formula C15H25ClO and a molecular weight of 256.82 g/mol. Its IUPAC name is 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
PubChem CID79919900
Molecular FormulaC15H25ClO
Molecular Weight256.82 g/mol
Exact Mass256.16
IUPAC Name4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
SMILESClC1CCCC1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25ClO/c16-14-6-4-5-13(14)12-7-10-17-15(11-12)8-2-1-3-9-15/h12-14H,1-11H2
InChIKeyHPHXFYPFWIWFCB-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 54.52
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-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
4-(2-chlorocyclopentyl)oxane
CID 63937318
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane (CID 79919900) is 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane is ClC1CCCC1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane?
The InChIKey is HPHXFYPFWIWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO/c16-14-6-4-5-13(14)12-7-10-17-15(11-12)8-2-1-3-9-15/h12-14H,1-11H2.
What are the key properties of 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane?
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane has a molecular weight of 256.82 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 79919900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).