1-oxa-4-thiaspiro[4.5]decane

C8H14OS — CID 9094

IUPAC1-oxa-4-thiaspiro[4.5]decane
SMILESC1CCC2(CC1)OCCS2
InChIInChI=1S/C8H14OS/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKeyAWAPQLQRGOLHTD-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.41
Rot. Bonds

About 1-oxa-4-thiaspiro[4.5]decane

1-oxa-4-thiaspiro[4.5]decane (PubChem CID 9094) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name1-oxa-4-thiaspiro[4.5]decane
PubChem CID9094
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-oxa-4-thiaspiro[4.5]decane
SMILESC1CCC2(CC1)OCCS2
InChIInChI=1S/C8H14OS/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKeyAWAPQLQRGOLHTD-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiolane, 2-pentyl-
CID 11147880
2-Ethylhexahydrobenzo[d][1,3]oxathiole
CID 132278931
2-Methylhexahydrobenzo[d][1,3]oxathiole
CID 132281119
2-Butyl-2-methyl-1,3-oxathiolane
CID 13004868
2-Cyclohexyloxythiolane
CID 12445266
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-(Thiolan-2-yl)-1,4-dioxane
CID 57189122
S-(2-cyclohexyloxyethyl) 2-(thiolan-1-ium-1-yl)ethanethioate
CID 58780108
2,2-Dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
CID 59582664
2-(1,4-Dithian-2-yl)oxolane
CID 91212340
2-(2-Propan-2-ylsulfanylethyl)oxolane
CID 126487294
(2R,4R)-2-pentyl-4-propyl-1,3-oxathiolane
CID 141530471

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 1-oxa-4-thiaspiro[4.5]decane (CID 9094) is 1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 1-oxa-4-thiaspiro[4.5]decane is C1CCC2(CC1)OCCS2.
What is the InChIKey of 1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is AWAPQLQRGOLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2.
What are the key properties of 1-oxa-4-thiaspiro[4.5]decane?
1-oxa-4-thiaspiro[4.5]decane has a molecular weight of 158.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 9094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).