4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane

C10H18OS2 — CID 170710384

IUPAC4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane
SMILESCOC1C(C)SSC12CCCCC2
InChIInChI=1S/C10H18OS2/c1-8-9(11-2)10(13-12-8)6-4-3-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyMXDLRYXLPPWHBN-UHFFFAOYSA-N
MW218.39 g/mol
LogP3.49
Rot. Bonds1

About 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane

4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane (PubChem CID 170710384) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane
PubChem CID170710384
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane
SMILESCOC1C(C)SSC12CCCCC2
InChIInChI=1S/C10H18OS2/c1-8-9(11-2)10(13-12-8)6-4-3-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyMXDLRYXLPPWHBN-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-3-(trifluoromethyl)-1,2-dithiaspiro[4.5]decane
CID 170710737
2-[4-(1-Ethylcyclohexyl)sulfanylbutyl]oxolane
CID 23326631
2-[3-(Cyclohexylmethylsulfanyl)butyl]oxolane
CID 70541596
1-(1-Cyclohexylethoxy)ethanethiol
CID 123583150
5-[2-(4-Propylcyclohexyl)ethyl]-2-sulfanylideneoxadithiolane
CID 139832643
4-Methoxy-3-methyl-1,2-dithiaspiro[4.4]nonane
CID 170710478
1-Oxaspiro[4.5]decane-4-thiol
CID 12674046
1-Oxaspiro[4.5]decan-2-ylmethanethiol
CID 102897989
2-(Methylsulfanylmethyl)-1-oxaspiro[4.5]decane
CID 130670904
2-Cyclohexyl-2-methoxyethanethiol
CID 155822202

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane?
The IUPAC name of 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane (CID 170710384) is 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane.
What is the SMILES notation for 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane?
The canonical SMILES for 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane is COC1C(C)SSC12CCCCC2.
What is the InChIKey of 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane?
The InChIKey is MXDLRYXLPPWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-8-9(11-2)10(13-12-8)6-4-3-5-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane?
4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane has a molecular weight of 218.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1,2-dithiaspiro[4.5]decane is sourced from PubChem (CID 170710384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).