[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium

C11H21O2S+ — CID 142919977

IUPAC[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium
SMILESCOC(OC[S+](C)C)=C1CCCCC1
InChIInChI=1S/C11H21O2S/c1-12-11(13-9-14(2)3)10-7-5-4-6-8-10/h4-9H2,1-3H3/q+1
InChIKeyYYRPOKQKJHSRKK-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.66
Rot. Bonds4

About [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium

[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium (PubChem CID 142919977) has the molecular formula C11H21O2S+ and a molecular weight of 217.35 g/mol. Its IUPAC name is [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium.

Molecular Properties

Compound Name[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium
PubChem CID142919977
Molecular FormulaC11H21O2S+
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC Name[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium
SMILESCOC(OC[S+](C)C)=C1CCCCC1
InChIInChI=1S/C11H21O2S/c1-12-11(13-9-14(2)3)10-7-5-4-6-8-10/h4-9H2,1-3H3/q+1
InChIKeyYYRPOKQKJHSRKK-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium?
The IUPAC name of [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium (CID 142919977) is [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium.
What is the SMILES notation for [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium?
The canonical SMILES for [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium is COC(OC[S+](C)C)=C1CCCCC1.
What is the InChIKey of [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium?
The InChIKey is YYRPOKQKJHSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2S/c1-12-11(13-9-14(2)3)10-7-5-4-6-8-10/h4-9H2,1-3H3/q+1.
What are the key properties of [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium?
[cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium has a molecular weight of 217.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium is sourced from PubChem (CID 142919977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).