2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide

C14H24O3S — CID 176603442

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCOC=C1CCCCC1
InChIInChI=1S/C14H24O3S/c15-18(16)11-5-4-8-14(18)9-10-17-12-13-6-2-1-3-7-13/h12,14H,1-11H2
InChIKeyAXHHSHKOMAGLBL-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.21
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide

2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603442) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603442
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CCOC=C1CCCCC1
InChIInChI=1S/C14H24O3S/c15-18(16)11-5-4-8-14(18)9-10-17-12-13-6-2-1-3-7-13/h12,14H,1-11H2
InChIKeyAXHHSHKOMAGLBL-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Methylidenecyclohexyl)oxythiane 1,1-dioxide
CID 90912925
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(Cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603208
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (CID 176603442) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is O=S1(=O)CCCCC1CCOC=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is AXHHSHKOMAGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c15-18(16)11-5-4-8-14(18)9-10-17-12-13-6-2-1-3-7-13/h12,14H,1-11H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).