3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide

C12H20O3S — CID 176604159

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-12(9-16(13,14)10-12)8-15-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyCKMSUVRYDIZEKX-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.29
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide

3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide (PubChem CID 176604159) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
PubChem CID176604159
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-12(9-16(13,14)10-12)8-15-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyCKMSUVRYDIZEKX-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603265
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176603769
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176604024
3-(Cyclohexylidenemethoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176604119
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide (CID 176604159) is 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide is CC1(COC=C2CCCCC2)CS(=O)(=O)C1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide?
The InChIKey is CKMSUVRYDIZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-12(9-16(13,14)10-12)8-15-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide?
3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide is sourced from PubChem (CID 176604159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).