4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide

C15H26O2S — CID 176604039

IUPAC4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCCS(=O)CC1
InChIInChI=1S/C15H26O2S/c1-13(17-12-14-6-2-3-7-14)15-8-4-5-10-18(16)11-9-15/h12-13,15H,2-11H2,1H3
InChIKeyBEJNBPIZWWZGLR-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.79
Rot. Bonds3

About 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide

4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide (PubChem CID 176604039) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide.

Molecular Properties

Compound Name4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide
PubChem CID176604039
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCCS(=O)CC1
InChIInChI=1S/C15H26O2S/c1-13(17-12-14-6-2-3-7-14)15-8-4-5-10-18(16)11-9-15/h12-13,15H,2-11H2,1H3
InChIKeyBEJNBPIZWWZGLR-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.79
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-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-[1-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603207
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
CID 176603333
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176603523
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682
3-[1-(Cyclohexylidenemethoxy)ethyl]thiepane 1-oxide
CID 176603923
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603951
4-[1-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603979
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176604079
3-[2-(Cyclopentylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176604105
4-[1-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176604148

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide?
The IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide (CID 176604039) is 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide.
What is the SMILES notation for 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide?
The canonical SMILES for 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide is CC(OC=C1CCCC1)C1CCCCS(=O)CC1.
What is the InChIKey of 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide?
The InChIKey is BEJNBPIZWWZGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-13(17-12-14-6-2-3-7-14)15-8-4-5-10-18(16)11-9-15/h12-13,15H,2-11H2,1H3.
What are the key properties of 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide?
4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentylidenemethoxy)ethyl]thiocane 1-oxide is sourced from PubChem (CID 176604039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).