4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide

C16H28O3S — CID 176604148

IUPAC4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCCS(=O)(=O)CC1
InChIInChI=1S/C16H28O3S/c1-14(19-13-15-7-3-2-4-8-15)16-9-5-6-11-20(17,18)12-10-16/h13-14,16H,2-12H2,1H3
InChIKeyNMWFPIKHZZKBEI-UHFFFAOYSA-N
MW300.46 g/mol
LogP3.84
Rot. Bonds3

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

4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide (PubChem CID 176604148) has the molecular formula C16H28O3S and a molecular weight of 300.46 g/mol. Its IUPAC name is 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
PubChem CID176604148
Molecular FormulaC16H28O3S
Molecular Weight300.46 g/mol
Exact Mass300.18
IUPAC Name4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCCS(=O)(=O)CC1
InChIInChI=1S/C16H28O3S/c1-14(19-13-15-7-3-2-4-8-15)16-9-5-6-11-20(17,18)12-10-16/h13-14,16H,2-12H2,1H3
InChIKeyNMWFPIKHZZKBEI-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176603181
3-[2-(Cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603208
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360
3-[1-(Cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603477
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide
CID 176603573
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603697
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane 1-oxide
CID 176603833

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The IUPAC name of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide (CID 176604148) is 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide.
What is the SMILES notation for 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The canonical SMILES for 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide is CC(OC=C1CCCCC1)C1CCCCS(=O)(=O)CC1.
What is the InChIKey of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The InChIKey is NMWFPIKHZZKBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3S/c1-14(19-13-15-7-3-2-4-8-15)16-9-5-6-11-20(17,18)12-10-16/h13-14,16H,2-12H2,1H3.
What are the key properties of 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide has a molecular weight of 300.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide is sourced from PubChem (CID 176604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).