4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

C14H24O2S — CID 176603063

IUPAC4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)CC1
InChIInChI=1S/C14H24O2S/c1-12(14-7-9-17(15)10-8-14)16-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3
InChIKeyAQTGNAOPRFLQMR-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.40
Rot. Bonds3

About 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide

4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (PubChem CID 176603063) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
PubChem CID176603063
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)CC1
InChIInChI=1S/C14H24O2S/c1-12(14-7-9-17(15)10-8-14)16-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3
InChIKeyAQTGNAOPRFLQMR-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

2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
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
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603185
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603305
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603321
4-(Cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
CID 176603353
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 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide (CID 176603063) is 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is CC(OC=C1CCCCC1)C1CCS(=O)CC1.
What is the InChIKey of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
The InChIKey is AQTGNAOPRFLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-12(14-7-9-17(15)10-8-14)16-11-13-5-3-2-4-6-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide?
4-[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 4-[1-(cyclohexylidenemethoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176603063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).