4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide

C15H26O3S — CID 176603353

IUPAC4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C15H26O3S/c1-2-15(8-10-19(16,17)11-9-15)13-18-12-14-6-4-3-5-7-14/h12H,2-11,13H2,1H3
InChIKeyMXPVWSCOJLCDJO-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.46
Rot. Bonds4

About 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide

4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide (PubChem CID 176603353) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
PubChem CID176603353
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C15H26O3S/c1-2-15(8-10-19(16,17)11-9-15)13-18-12-14-6-4-3-5-7-14/h12H,2-11,13H2,1H3
InChIKeyMXPVWSCOJLCDJO-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.46
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-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide?
The IUPAC name of 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide (CID 176603353) is 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide.
What is the SMILES notation for 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide?
The canonical SMILES for 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide is CCC1(COC=C2CCCCC2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide?
The InChIKey is MXPVWSCOJLCDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-2-15(8-10-19(16,17)11-9-15)13-18-12-14-6-4-3-5-7-14/h12H,2-11,13H2,1H3.
What are the key properties of 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide?
4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide is sourced from PubChem (CID 176603353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).