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

C10H16O2S — CID 139347700

IUPAC8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
SMILESCCC1CCC2(CC1)OC(=O)CS2
InChIInChI=1S/C10H16O2S/c1-2-8-3-5-10(6-4-8)12-9(11)7-13-10/h8H,2-7H2,1H3
InChIKeyCENSDAOZHUSLDZ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.57
Rot. Bonds1

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

8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one (PubChem CID 139347700) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
PubChem CID139347700
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
SMILESCCC1CCC2(CC1)OC(=O)CS2
InChIInChI=1S/C10H16O2S/c1-2-8-3-5-10(6-4-8)12-9(11)7-13-10/h8H,2-7H2,1H3
InChIKeyCENSDAOZHUSLDZ-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-Dimethyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 139347546
8-Pentyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 139347698
8-Propyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 149960009
8-Ethyl-3-methyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 151193219
3-Methyl-8-propyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 151758897
8-Tert-butyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 85898714
7-Methyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 139347697
Ethyl 2-[(4-methoxycyclohexyl)methylsulfanyl]-2-methylpropanoate
CID 143964651
Methyl 2-methyl-3-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)propanoate
CID 102846404

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The IUPAC name of 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one (CID 139347700) is 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The canonical SMILES for 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one is CCC1CCC2(CC1)OC(=O)CS2.
What is the InChIKey of 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
The InChIKey is CENSDAOZHUSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-2-8-3-5-10(6-4-8)12-9(11)7-13-10/h8H,2-7H2,1H3.
What are the key properties of 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one?
8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one has a molecular weight of 200.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-oxa-4-thiaspiro[4.5]decan-2-one is sourced from PubChem (CID 139347700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).