10-methylsulfanylspiro[4.5]decan-8-one

C11H18OS — CID 165498452

IUPAC10-methylsulfanylspiro[4.5]decan-8-one
SMILESCSC1CC(=O)CCC12CCCC2
InChIInChI=1S/C11H18OS/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h10H,2-8H2,1H3
InChIKeyWWCKUZNNUSTYQN-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.03
Rot. Bonds1

About 10-methylsulfanylspiro[4.5]decan-8-one

10-methylsulfanylspiro[4.5]decan-8-one (PubChem CID 165498452) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 10-methylsulfanylspiro[4.5]decan-8-one.

Molecular Properties

Compound Name10-methylsulfanylspiro[4.5]decan-8-one
PubChem CID165498452
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name10-methylsulfanylspiro[4.5]decan-8-one
SMILESCSC1CC(=O)CCC12CCCC2
InChIInChI=1S/C11H18OS/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h10H,2-8H2,1H3
InChIKeyWWCKUZNNUSTYQN-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methylspiro[4.5]decan-8-one
CID 11116421
3-tert-butylsulfanyl-4,4-dimethylcyclohexan-1-one
CID 165496420
4,4-dimethyl-3-(3-methylbutan-2-ylsulfanyl)cyclohexan-1-one
CID 165491243
2,3-bis(methylsulfanyl)spiro[3.4]octane
CID 146434673
(1S)-2,2-dimethyl-5-oxocyclohexane-1-carbaldehyde
CID 45083822
(4aR,8aS)-8a-propyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione
CID 102589366
(3aR,7aS)-7a-ethyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
CID 102589367
4,4-dimethylcyclononan-1-one
CID 123139927
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
2,8a-dimethyl-3,4,4a,5,7,8-hexahydro-1H-isoquinolin-6-one
CID 143082204

Frequently Asked Questions

What is the IUPAC name of 10-methylsulfanylspiro[4.5]decan-8-one?
The IUPAC name of 10-methylsulfanylspiro[4.5]decan-8-one (CID 165498452) is 10-methylsulfanylspiro[4.5]decan-8-one.
What is the SMILES notation for 10-methylsulfanylspiro[4.5]decan-8-one?
The canonical SMILES for 10-methylsulfanylspiro[4.5]decan-8-one is CSC1CC(=O)CCC12CCCC2.
What is the InChIKey of 10-methylsulfanylspiro[4.5]decan-8-one?
The InChIKey is WWCKUZNNUSTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h10H,2-8H2,1H3.
What are the key properties of 10-methylsulfanylspiro[4.5]decan-8-one?
10-methylsulfanylspiro[4.5]decan-8-one has a molecular weight of 198.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfanylspiro[4.5]decan-8-one is sourced from PubChem (CID 165498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).