2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane

C11H17Cl3O2S — CID 121005854

IUPAC2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane
SMILESClC(Cl)(Cl)SC1CCOC1OC1CCCCC1
InChIInChI=1S/C11H17Cl3O2S/c12-11(13,14)17-9-6-7-15-10(9)16-8-4-2-1-3-5-8/h8-10H,1-7H2
InChIKeyRIJIKOMYWLLFBW-UHFFFAOYSA-N
MW319.68 g/mol
LogP4.51
Rot. Bonds3

About 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane

2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane (PubChem CID 121005854) has the molecular formula C11H17Cl3O2S and a molecular weight of 319.68 g/mol. Its IUPAC name is 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane.

Molecular Properties

Compound Name2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane
PubChem CID121005854
Molecular FormulaC11H17Cl3O2S
Molecular Weight319.68 g/mol
Exact Mass318.00
IUPAC Name2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane
SMILESClC(Cl)(Cl)SC1CCOC1OC1CCCCC1
InChIInChI=1S/C11H17Cl3O2S/c12-11(13,14)17-9-6-7-15-10(9)16-8-4-2-1-3-5-8/h8-10H,1-7H2
InChIKeyRIJIKOMYWLLFBW-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane 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

2-cycloheptyloxyoxane
CID 11735764
CID 173424592
CID 173424592
trans-(1R,2R)-1-chloro-2-(trichloromethylsulfanyl)cyclohexane
CID 11587076
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclobutyloxycyclobutane;hydrofluoride
CID 174842144
2,2,2-trichloroethyl N-[(2R,3R,4R,5S,6R)-2-cyclohexyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 134811735
(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 10980078
cyclohexene;cyclohexyloxycyclohexane
CID 174935806
tricyclohexyloxymethylsilane
CID 173155170
(3aR,4R,5R,6R,7R,7aS)-5,6-dicyclohexyloxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,7-diol
CID 130476492
(2-bromocyclopentyl)oxycyclooctane
CID 165493454

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane?
The IUPAC name of 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane (CID 121005854) is 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane.
What is the SMILES notation for 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane?
The canonical SMILES for 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane is ClC(Cl)(Cl)SC1CCOC1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane?
The InChIKey is RIJIKOMYWLLFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl3O2S/c12-11(13,14)17-9-6-7-15-10(9)16-8-4-2-1-3-5-8/h8-10H,1-7H2.
What are the key properties of 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane?
2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane has a molecular weight of 319.68 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3-(trichloromethylsulfanyl)oxolane is sourced from PubChem (CID 121005854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).