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

C15H25ClO2 — CID 79919791

IUPAC4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
SMILESClC1CCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25ClO2/c16-14-4-2-1-3-13(14)12-5-8-18-15(11-12)6-9-17-10-7-15/h12-14H,1-11H2
InChIKeyDALJWSWBTNSCKQ-UHFFFAOYSA-N
MW272.82 g/mol
LogP3.76
Rot. Bonds1

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

4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane (PubChem CID 79919791) has the molecular formula C15H25ClO2 and a molecular weight of 272.82 g/mol. Its IUPAC name is 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
PubChem CID79919791
Molecular FormulaC15H25ClO2
Molecular Weight272.82 g/mol
Exact Mass272.15
IUPAC Name4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
SMILESClC1CCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25ClO2/c16-14-4-2-1-3-13(14)12-5-8-18-15(11-12)6-9-17-10-7-15/h12-14H,1-11H2
InChIKeyDALJWSWBTNSCKQ-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.76
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

4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
4-(2-chlorocyclopentyl)oxane
CID 63937318
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
[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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane (CID 79919791) is 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane is ClC1CCCCC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane?
The InChIKey is DALJWSWBTNSCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2/c16-14-4-2-1-3-13(14)12-5-8-18-15(11-12)6-9-17-10-7-15/h12-14H,1-11H2.
What are the key properties of 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane?
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane has a molecular weight of 272.82 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 79919791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).