3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide

C16H28O3S — CID 176603094

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
SMILESO=S1(=O)CCCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C16H28O3S/c17-20(18)12-6-2-5-9-16(14-20)10-11-19-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2
InChIKeyPLHQMEWWTVDPBC-UHFFFAOYSA-N
MW300.46 g/mol
LogP3.85
Rot. Bonds4

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

3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide (PubChem CID 176603094) has the molecular formula C16H28O3S and a molecular weight of 300.46 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
PubChem CID176603094
Molecular FormulaC16H28O3S
Molecular Weight300.46 g/mol
Exact Mass300.18
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
SMILESO=S1(=O)CCCCCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C16H28O3S/c17-20(18)12-6-2-5-9-16(14-20)10-11-19-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2
InChIKeyPLHQMEWWTVDPBC-UHFFFAOYSA-N
XLogP3.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
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-methylthiocane 1,1-dioxide
CID 176603181
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603208
3-[2-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603320
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide (CID 176603094) is 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide is O=S1(=O)CCCCCC(CCOC=C2CCCCC2)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
The InChIKey is PLHQMEWWTVDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3S/c17-20(18)12-6-2-5-9-16(14-20)10-11-19-13-15-7-3-1-4-8-15/h13,16H,1-12,14H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide?
3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide has a molecular weight of 300.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide is sourced from PubChem (CID 176603094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).