4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one

C13H20O2S — CID 83196687

IUPAC4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
SMILESO=C1CSCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20O2S/c14-12-9-16-8-11(12)10-3-6-15-13(7-10)4-1-2-5-13/h10-11H,1-9H2
InChIKeyUTRQKBBLEODVTF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.66
Rot. Bonds1

About 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one

4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one (PubChem CID 83196687) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one.

Molecular Properties

Compound Name4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
PubChem CID83196687
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
SMILESO=C1CSCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H20O2S/c14-12-9-16-8-11(12)10-3-6-15-13(7-10)4-1-2-5-13/h10-11H,1-9H2
InChIKeyUTRQKBBLEODVTF-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894723
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
CID 104679174
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one?
The IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one (CID 83196687) is 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one.
What is the SMILES notation for 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one?
The canonical SMILES for 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one is O=C1CSCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one?
The InChIKey is UTRQKBBLEODVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c14-12-9-16-8-11(12)10-3-6-15-13(7-10)4-1-2-5-13/h10-11H,1-9H2.
What are the key properties of 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one?
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one has a molecular weight of 240.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one is sourced from PubChem (CID 83196687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).