4-[1-(cyclohexylidenemethoxy)ethyl]thiocane

C16H28OS — CID 176604206

IUPAC4-[1-(cyclohexylidenemethoxy)ethyl]thiocane
SMILESCC(OC=C1CCCCC1)C1CCCCSCC1
InChIInChI=1S/C16H28OS/c1-14(16-9-5-6-11-18-12-10-16)17-13-15-7-3-2-4-8-15/h13-14,16H,2-12H2,1H3
InChIKeyGLHVYSMLYSYFQN-UHFFFAOYSA-N
MW268.47 g/mol
LogP5.16
Rot. Bonds3

About 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane

4-[1-(cyclohexylidenemethoxy)ethyl]thiocane (PubChem CID 176604206) has the molecular formula C16H28OS and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane.

Molecular Properties

Compound Name4-[1-(cyclohexylidenemethoxy)ethyl]thiocane
PubChem CID176604206
Molecular FormulaC16H28OS
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name4-[1-(cyclohexylidenemethoxy)ethyl]thiocane
SMILESCC(OC=C1CCCCC1)C1CCCCSCC1
InChIInChI=1S/C16H28OS/c1-14(16-9-5-6-11-18-12-10-16)17-13-15-7-3-2-4-8-15/h13-14,16H,2-12H2,1H3
InChIKeyGLHVYSMLYSYFQN-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 55.16
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
CID 176603152
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane
CID 176603540
4-[1-(2-Methylprop-1-enoxy)ethyl]thiocane
CID 176603829
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiolane
CID 176603868
3-[1-(Cyclohexylidenemethoxy)ethyl]thiepane 1-oxide
CID 176603923
4-[1-(Cyclopentylidenemethoxy)ethyl]thiocane 1-oxide
CID 176604039
4-[1-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176604148
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane
CID 176604392
3-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176604801

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane?
The IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane (CID 176604206) is 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane.
What is the SMILES notation for 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane?
The canonical SMILES for 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane is CC(OC=C1CCCCC1)C1CCCCSCC1.
What is the InChIKey of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane?
The InChIKey is GLHVYSMLYSYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OS/c1-14(16-9-5-6-11-18-12-10-16)17-13-15-7-3-2-4-8-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane?
4-[1-(cyclohexylidenemethoxy)ethyl]thiocane has a molecular weight of 268.47 g/mol, XLogP of 5.16, 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]thiocane is sourced from PubChem (CID 176604206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).