4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane

C15H25ClOS — CID 79919680

IUPAC4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
SMILESClC1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H25ClOS/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14H,1-11H2
InChIKeyDCGSGSMDJQGCHC-UHFFFAOYSA-N
MW288.88 g/mol
LogP4.48
Rot. Bonds1

About 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane

4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane (PubChem CID 79919680) has the molecular formula C15H25ClOS and a molecular weight of 288.88 g/mol. Its IUPAC name is 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
PubChem CID79919680
Molecular FormulaC15H25ClOS
Molecular Weight288.88 g/mol
Exact Mass288.13
IUPAC Name4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
SMILESClC1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H25ClOS/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14H,1-11H2
InChIKeyDCGSGSMDJQGCHC-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane?
The IUPAC name of 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane (CID 79919680) is 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane?
The canonical SMILES for 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane is ClC1CCCCC1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane?
The InChIKey is DCGSGSMDJQGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClOS/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14H,1-11H2.
What are the key properties of 4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane?
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane has a molecular weight of 288.88 g/mol, XLogP of 4.48, 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-oxa-9-thiaspiro[5.5]undecane is sourced from PubChem (CID 79919680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).