2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane

C17H30OS — CID 176603205

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane
SMILESCCC1(COC=C2CCCCC2)CCCCCCS1
InChIInChI=1S/C17H30OS/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3
InChIKeyMTLXCAAMXMBBPM-UHFFFAOYSA-N
MW282.49 g/mol
LogP5.70
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane

2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane (PubChem CID 176603205) has the molecular formula C17H30OS and a molecular weight of 282.49 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane
PubChem CID176603205
Molecular FormulaC17H30OS
Molecular Weight282.49 g/mol
Exact Mass282.20
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane
SMILESCCC1(COC=C2CCCCC2)CCCCCCS1
InChIInChI=1S/C17H30OS/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3
InChIKeyMTLXCAAMXMBBPM-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 55.70
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-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiocane
CID 176602953
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
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-methylthiocane 1,1-dioxide
CID 176603181
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane (CID 176603205) is 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane is CCC1(COC=C2CCCCC2)CCCCCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane?
The InChIKey is MTLXCAAMXMBBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OS/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane?
2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane has a molecular weight of 282.49 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiocane is sourced from PubChem (CID 176603205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).