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

C17H30O2S — CID 176603478

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide
SMILESO=S1CCCCCCC1CCCOC=C1CCCCC1
InChIInChI=1S/C17H30O2S/c18-20-14-7-2-1-6-11-17(20)12-8-13-19-15-16-9-4-3-5-10-16/h15,17H,1-14H2
InChIKeyAKFRCLXDXNVQLV-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.71
Rot. Bonds5

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

2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide (PubChem CID 176603478) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide
PubChem CID176603478
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide
SMILESO=S1CCCCCCC1CCCOC=C1CCCCC1
InChIInChI=1S/C17H30O2S/c18-20-14-7-2-1-6-11-17(20)12-8-13-19-15-16-9-4-3-5-10-16/h15,17H,1-14H2
InChIKeyAKFRCLXDXNVQLV-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.71
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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Related Compounds

2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
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
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1-oxide
CID 176603359
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide (CID 176603478) is 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide is O=S1CCCCCCC1CCCOC=C1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide?
The InChIKey is AKFRCLXDXNVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c18-20-14-7-2-1-6-11-17(20)12-8-13-19-15-16-9-4-3-5-10-16/h15,17H,1-14H2.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide?
2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide has a molecular weight of 298.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]thiocane 1-oxide is sourced from PubChem (CID 176603478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).