3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide

C12H20O3S — CID 176603769

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-10(12-8-16(13,14)9-12)15-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyYRENKFYVSLBVSQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.28
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide

3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide (PubChem CID 176603769) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
PubChem CID176603769
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-10(12-8-16(13,14)9-12)15-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyYRENKFYVSLBVSQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603697
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603854
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176604024
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1-oxide
CID 176604147
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215
3-(Cyclohexylidenemethoxymethyl)thietane 1-oxide
CID 176604241

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide (CID 176603769) is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide is CC(OC=C1CCCCC1)C1CS(=O)(=O)C1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide?
The InChIKey is YRENKFYVSLBVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-10(12-8-16(13,14)9-12)15-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide?
3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide is sourced from PubChem (CID 176603769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).