2-(cyclohexylidenemethoxymethyl)-2-methylthiirane

C11H18OS — CID 176602948

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiirane
SMILESCC1(COC=C2CCCCC2)CS1
InChIInChI=1S/C11H18OS/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyALMRAZIAZOABAM-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane

2-(cyclohexylidenemethoxymethyl)-2-methylthiirane (PubChem CID 176602948) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiirane
PubChem CID176602948
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiirane
SMILESCC1(COC=C2CCCCC2)CS1
InChIInChI=1S/C11H18OS/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyALMRAZIAZOABAM-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
CID 146322694
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane
CID 176602916
2-(Cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603265
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane
CID 176603687
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176603739
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane 1-oxide
CID 176603879
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane 1-oxide
CID 176604415
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604789
2-(Cyclohexylidenemethoxymethyl)thiirane 1-oxide
CID 176604872

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane (CID 176602948) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane is CC1(COC=C2CCCCC2)CS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane?
The InChIKey is ALMRAZIAZOABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane?
2-(cyclohexylidenemethoxymethyl)-2-methylthiirane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane is sourced from PubChem (CID 176602948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).