2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide

C15H26O2S — CID 176603347

IUPAC2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide
SMILESO=S1CCCCCCC1COC=C1CCCCC1
InChIInChI=1S/C15H26O2S/c16-18-11-7-2-1-6-10-15(18)13-17-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2
InChIKeyNIJBQHCORISHDP-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.93
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide

2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide (PubChem CID 176603347) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide
PubChem CID176603347
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide
SMILESO=S1CCCCCCC1COC=C1CCCCC1
InChIInChI=1S/C15H26O2S/c16-18-11-7-2-1-6-10-15(18)13-17-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2
InChIKeyNIJBQHCORISHDP-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.93
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-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176603181
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1-oxide
CID 176603359
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360
2-(2-Methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603393
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane 1-oxide
CID 176603478
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide (CID 176603347) is 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide is O=S1CCCCCCC1COC=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide?
The InChIKey is NIJBQHCORISHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c16-18-11-7-2-1-6-10-15(18)13-17-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide?
2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiocane 1-oxide is sourced from PubChem (CID 176603347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).