1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone

C14H22O3S — CID 79913356

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-12H,1-10H2
InChIKeyXVKADSGOAGLANR-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.43
Rot. Bonds3

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 79913356) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone
PubChem CID79913356
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-12H,1-10H2
InChIKeyXVKADSGOAGLANR-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone (CID 79913356) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone is O=C(CC1CCCO1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is XVKADSGOAGLANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-12H,1-10H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 270.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 79913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).