2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide

C10H16O2S — CID 176604872

IUPAC2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide
SMILESO=S1CC1COC=C1CCCCC1
InChIInChI=1S/C10H16O2S/c11-13-8-10(13)7-12-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2
InChIKeySRXDSVLRSHRZFY-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.98
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide

2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide (PubChem CID 176604872) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide
PubChem CID176604872
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide
SMILESO=S1CC1COC=C1CCCCC1
InChIInChI=1S/C10H16O2S/c11-13-8-10(13)7-12-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2
InChIKeySRXDSVLRSHRZFY-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.98
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-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
2-(Cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603265
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176603739
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane 1-oxide
CID 176603879
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176604220

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide (CID 176604872) is 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide is O=S1CC1COC=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide?
The InChIKey is SRXDSVLRSHRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-13-8-10(13)7-12-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide?
2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide has a molecular weight of 200.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiirane 1-oxide is sourced from PubChem (CID 176604872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).