oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C15H24O3S — CID 79921446

IUPACoxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCOC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O3S/c16-14(13-2-1-6-17-11-13)12-3-7-18-15(10-12)4-8-19-9-5-15/h12-13H,1-11H2
InChIKeyILSWIFFVYPOMAS-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.67
Rot. Bonds2

About oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79921446) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Nameoxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID79921446
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Nameoxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCOC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O3S/c16-14(13-2-1-6-17-11-13)12-3-7-18-15(10-12)4-8-19-9-5-15/h12-13H,1-11H2
InChIKeyILSWIFFVYPOMAS-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-2-yl)methanone
CID 80622871
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116580845
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
2-cyclohexylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 79909160
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
2-hydroxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 103455117

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 79921446) is oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(C1CCCOC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is ILSWIFFVYPOMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-14(13-2-1-6-17-11-13)12-3-7-18-15(10-12)4-8-19-9-5-15/h12-13H,1-11H2.
What are the key properties of oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 284.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79921446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).