10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one

C9H14O2S — CID 103439871

IUPAC10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one
SMILESCC1SCCCC12CCC(=O)O2
InChIInChI=1S/C9H14O2S/c1-7-9(4-2-6-12-7)5-3-8(10)11-9/h7H,2-6H2,1H3
InChIKeyLTRFPRLMZKARIJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.98
Rot. Bonds

About 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one

10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one (PubChem CID 103439871) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one
PubChem CID103439871
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one
SMILESCC1SCCCC12CCC(=O)O2
InChIInChI=1S/C9H14O2S/c1-7-9(4-2-6-12-7)5-3-8(10)11-9/h7H,2-6H2,1H3
InChIKeyLTRFPRLMZKARIJ-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Butylsulfanyl)-5-propyloxolan-2-one
CID 3078221
tert-butyl 2-[(2S,6S)-6-methylthian-2-yl]acetate
CID 10561471
1-Oxa-8-thiaspiro[4.5]decan-2-one
CID 103439824
Tert-butyl 5-(2-acetylsulfanylethyl)thiolane-2-carboxylate
CID 19096291
6-Oxa-2-thiaspiro[4.5]decane-7,9-dione
CID 19912112
tert-butyl (2R,5R)-5-(2-acetylsulfanylethyl)thiolane-2-carboxylate
CID 53912494
tert-butyl (2S,5R)-5-(2-acetylsulfanylethyl)thiolane-2-carboxylate
CID 53912495
tert-butyl (2S,5S)-5-(2-acetylsulfanylethyl)thiolane-2-carboxylate
CID 88402652
Tert-butyl 4-acetylsulfanylcyclohexane-1-carboxylate
CID 137394205
Tert-butyl 1-acetylsulfanylcyclohexane-1-carboxylate
CID 142508529
3-Methyl-5-oxa-2-thiaspiro[3.4]octan-6-one
CID 164031429
2-(2-Ethylthian-4-yl)acetate
CID 18432781

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one?
The IUPAC name of 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one (CID 103439871) is 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one.
What is the SMILES notation for 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one?
The canonical SMILES for 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one is CC1SCCCC12CCC(=O)O2.
What is the InChIKey of 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one?
The InChIKey is LTRFPRLMZKARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-7-9(4-2-6-12-7)5-3-8(10)11-9/h7H,2-6H2,1H3.
What are the key properties of 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one?
10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1-oxa-9-thiaspiro[4.5]decan-2-one is sourced from PubChem (CID 103439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).