3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide

C16H28O2S — CID 176603176

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
SMILESO=S1CCCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C16H28O2S/c17-19-12-6-2-5-9-16(14-19)10-11-18-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2
InChIKeyLCASJIYILRKHOR-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.18
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide

3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide (PubChem CID 176603176) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
PubChem CID176603176
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
SMILESO=S1CCCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C16H28O2S/c17-19-12-6-2-5-9-16(14-19)10-11-18-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2
InChIKeyLCASJIYILRKHOR-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide (CID 176603176) is 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide is O=S1CCCCCC(CCOC=C2CCCCC2)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide?
The InChIKey is LCASJIYILRKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c17-19-12-6-2-5-9-16(14-19)10-11-18-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide?
3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide has a molecular weight of 284.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1-oxide is sourced from PubChem (CID 176603176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).