2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

C14H24O2S — CID 176602954

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCCCS1=O
InChIInChI=1S/C14H24O2S/c1-12(14-9-5-6-10-17(14)15)16-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3
InChIKeyOIWWZWAKRCILMV-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (PubChem CID 176602954) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
PubChem CID176602954
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCCCS1=O
InChIInChI=1S/C14H24O2S/c1-12(14-9-5-6-10-17(14)15)16-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3
InChIKeyOIWWZWAKRCILMV-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (CID 176602954) is 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is CC(OC=C1CCCCC1)C1CCCCS1=O.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The InChIKey is OIWWZWAKRCILMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-12(14-9-5-6-10-17(14)15)16-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176602954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).