8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one

C10H16O2S — CID 139347546

IUPAC8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
SMILESCC1(C)CCC2(CC1)OC(=O)CS2
InChIInChI=1S/C10H16O2S/c1-9(2)3-5-10(6-4-9)12-8(11)7-13-10/h3-7H2,1-2H3
InChIKeyXWMDYBTVDRTMRA-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.57
Rot. Bonds

About 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one

8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one (PubChem CID 139347546) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
PubChem CID139347546
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
SMILESCC1(C)CCC2(CC1)OC(=O)CS2
InChIInChI=1S/C10H16O2S/c1-9(2)3-5-10(6-4-9)12-8(11)7-13-10/h3-7H2,1-2H3
InChIKeyXWMDYBTVDRTMRA-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one (CID 139347546) is 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one is CC1(C)CCC2(CC1)OC(=O)CS2.
What is the InChIKey of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The InChIKey is XWMDYBTVDRTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-9(2)3-5-10(6-4-9)12-8(11)7-13-10/h3-7H2,1-2H3.
What are the key properties of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one has a molecular weight of 200.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one is sourced from PubChem (CID 139347546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).