2-(cyclohexylidenemethoxymethyl)thiirane

C10H16OS — CID 176605324

IUPAC2-(cyclohexylidenemethoxymethyl)thiirane
SMILESC(OCC1CS1)=C1CCCCC1
InChIInChI=1S/C10H16OS/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h6,10H,1-5,7-8H2
InChIKeyKWMHMNWXPRIELB-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.97
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiirane

2-(cyclohexylidenemethoxymethyl)thiirane (PubChem CID 176605324) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiirane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiirane
PubChem CID176605324
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiirane
SMILESC(OCC1CS1)=C1CCCCC1
InChIInChI=1S/C10H16OS/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h6,10H,1-5,7-8H2
InChIKeyKWMHMNWXPRIELB-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.97
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

2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane
CID 176602916
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
2-(Cyclopentylidenemethoxymethyl)thiirane
CID 176603038
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]thiirane 1-oxide
CID 176604415
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604789
2-(Cyclohexylidenemethoxymethyl)thiirane 1-oxide
CID 176604872
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176604874

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane (CID 176605324) is 2-(cyclohexylidenemethoxymethyl)thiirane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiirane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiirane is C(OCC1CS1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiirane?
The InChIKey is KWMHMNWXPRIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h6,10H,1-5,7-8H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiirane?
2-(cyclohexylidenemethoxymethyl)thiirane has a molecular weight of 184.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiirane is sourced from PubChem (CID 176605324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).