4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide

C14H24O2S — CID 176603523

IUPAC4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
SMILESO=S1CCC(CCCOC=C2CCCC2)CC1
InChIInChI=1S/C14H24O2S/c15-17-10-7-13(8-11-17)6-3-9-16-12-14-4-1-2-5-14/h12-13H,1-11H2
InChIKeyHFGDEXRNLPETAB-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.40
Rot. Bonds5

About 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide

4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide (PubChem CID 176603523) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide.

Molecular Properties

Compound Name4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
PubChem CID176603523
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
SMILESO=S1CCC(CCCOC=C2CCCC2)CC1
InChIInChI=1S/C14H24O2S/c15-17-10-7-13(8-11-17)6-3-9-16-12-14-4-1-2-5-14/h12-13H,1-11H2
InChIKeyHFGDEXRNLPETAB-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.40
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

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide?
The IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide (CID 176603523) is 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide.
What is the SMILES notation for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide?
The canonical SMILES for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide is O=S1CCC(CCCOC=C2CCCC2)CC1.
What is the InChIKey of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide?
The InChIKey is HFGDEXRNLPETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c15-17-10-7-13(8-11-17)6-3-9-16-12-14-4-1-2-5-14/h12-13H,1-11H2.
What are the key properties of 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide?
4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide is sourced from PubChem (CID 176603523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).