3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

C14H24O2S — CID 176603870

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCCS(=O)C1
InChIInChI=1S/C14H24O2S/c1-12(14-8-5-9-17(15)11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyPFINBTKYXPLPOS-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.40
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (PubChem CID 176603870) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
PubChem CID176603870
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCCS(=O)C1
InChIInChI=1S/C14H24O2S/c1-12(14-8-5-9-17(15)11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyPFINBTKYXPLPOS-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
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-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (CID 176603870) is 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is CC(OC=C1CCCCC1)C1CCCS(=O)C1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The InChIKey is PFINBTKYXPLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-12(14-8-5-9-17(15)11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176603870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).