cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C16H26O2S — CID 79913237

IUPACcyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H26O2S/c17-15(13-4-2-1-3-5-13)14-6-9-18-16(12-14)7-10-19-11-8-16/h13-14H,1-12H2
InChIKeyMGILVFCKUQROIJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.83
Rot. Bonds2

About cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79913237) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID79913237
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Namecyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H26O2S/c17-15(13-4-2-1-3-5-13)14-6-9-18-16(12-14)7-10-19-11-8-16/h13-14H,1-12H2
InChIKeyMGILVFCKUQROIJ-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone 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

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79921446
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-2-yl)methanone
CID 80622871
2-cyclohexylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 79909160
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116580845
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 79913237) is cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(C1CCCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is MGILVFCKUQROIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c17-15(13-4-2-1-3-5-13)14-6-9-18-16(12-14)7-10-19-11-8-16/h13-14H,1-12H2.
What are the key properties of cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 282.45 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79913237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).