2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide

C16H28O3S — CID 176603181

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CCCCCCS1(=O)=O
InChIInChI=1S/C16H28O3S/c1-16(11-7-2-3-8-12-20(16,17)18)14-19-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3
InChIKeyAEOSEQSAGQBFRE-UHFFFAOYSA-N
MW300.46 g/mol
LogP3.99
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide

2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide (PubChem CID 176603181) has the molecular formula C16H28O3S and a molecular weight of 300.46 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
PubChem CID176603181
Molecular FormulaC16H28O3S
Molecular Weight300.46 g/mol
Exact Mass300.18
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CCCCCCS1(=O)=O
InChIInChI=1S/C16H28O3S/c1-16(11-7-2-3-8-12-20(16,17)18)14-19-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3
InChIKeyAEOSEQSAGQBFRE-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiocane 1-oxide
CID 176603128
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane
CID 176603152
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
3-[2-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603320
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide (CID 176603181) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide is CC1(COC=C2CCCCC2)CCCCCCS1(=O)=O.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The InChIKey is AEOSEQSAGQBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3S/c1-16(11-7-2-3-8-12-20(16,17)18)14-19-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide has a molecular weight of 300.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide is sourced from PubChem (CID 176603181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).