8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one

C12H18O2S2 — CID 10244259

IUPAC8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one
SMILESCC(C)COC1=CC(=O)C2(CC1)SCCS2
InChIInChI=1S/C12H18O2S2/c1-9(2)8-14-10-3-4-12(11(13)7-10)15-5-6-16-12/h7,9H,3-6,8H2,1-2H3
InChIKeySSMWCFASZRRMJD-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.08
Rot. Bonds3

About 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one

8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one (PubChem CID 10244259) has the molecular formula C12H18O2S2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one.

Molecular Properties

Compound Name8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one
PubChem CID10244259
Molecular FormulaC12H18O2S2
Molecular Weight258.41 g/mol
Exact Mass258.07
IUPAC Name8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one
SMILESCC(C)COC1=CC(=O)C2(CC1)SCCS2
InChIInChI=1S/C12H18O2S2/c1-9(2)8-14-10-3-4-12(11(13)7-10)15-5-6-16-12/h7,9H,3-6,8H2,1-2H3
InChIKeySSMWCFASZRRMJD-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-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

6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one
CID 162724285
6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 12917225
3-(2-methylpropoxy)cyclohepta-2,6-dien-1-imine
CID 123216771
(2R)-4-(2-methylpropoxy)-2-[(E)-4-[(1R)-3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
CID 7103267
(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine
CID 123382483
3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
CID 44725204
3-(2-methylpropoxy)-6-[(3E)-4-phenylsulfanylhexa-3,5-dienyl]cyclohex-2-en-1-one
CID 10737002
5,5-dimethyl-6-(3-methylbut-3-enyl)-3-(2-methylpropoxy)cyclohex-2-en-1-one
CID 24776848
10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
CID 71393323
(6S)-6-(2-bromoprop-2-enyl)-6-[(3S)-3-hydroxy-4-methylpentyl]-3-methoxycyclohex-2-en-1-one
CID 57333611
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79854866
(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
CID 93485985

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one?
The IUPAC name of 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one (CID 10244259) is 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one.
What is the SMILES notation for 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one?
The canonical SMILES for 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one is CC(C)COC1=CC(=O)C2(CC1)SCCS2.
What is the InChIKey of 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one?
The InChIKey is SSMWCFASZRRMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S2/c1-9(2)8-14-10-3-4-12(11(13)7-10)15-5-6-16-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one?
8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one has a molecular weight of 258.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one is sourced from PubChem (CID 10244259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).