3,3-diethoxypropylsulfanylcyclopentane

C12H24O2S — CID 63630483

IUPAC3,3-diethoxypropylsulfanylcyclopentane
SMILESCCOC(CCSC1CCCC1)OCC
InChIInChI=1S/C12H24O2S/c1-3-13-12(14-4-2)9-10-15-11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyHSDRFEMGFRTZOH-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.45
Rot. Bonds8

About 3,3-diethoxypropylsulfanylcyclopentane

3,3-diethoxypropylsulfanylcyclopentane (PubChem CID 63630483) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 3,3-diethoxypropylsulfanylcyclopentane.

Molecular Properties

Compound Name3,3-diethoxypropylsulfanylcyclopentane
PubChem CID63630483
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name3,3-diethoxypropylsulfanylcyclopentane
SMILESCCOC(CCSC1CCCC1)OCC
InChIInChI=1S/C12H24O2S/c1-3-13-12(14-4-2)9-10-15-11-7-5-6-8-11/h11-12H,3-10H2,1-2H3
InChIKeyHSDRFEMGFRTZOH-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxypropylsulfanylcyclopentane?
The IUPAC name of 3,3-diethoxypropylsulfanylcyclopentane (CID 63630483) is 3,3-diethoxypropylsulfanylcyclopentane.
What is the SMILES notation for 3,3-diethoxypropylsulfanylcyclopentane?
The canonical SMILES for 3,3-diethoxypropylsulfanylcyclopentane is CCOC(CCSC1CCCC1)OCC.
What is the InChIKey of 3,3-diethoxypropylsulfanylcyclopentane?
The InChIKey is HSDRFEMGFRTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-3-13-12(14-4-2)9-10-15-11-7-5-6-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,3-diethoxypropylsulfanylcyclopentane?
3,3-diethoxypropylsulfanylcyclopentane has a molecular weight of 232.39 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxypropylsulfanylcyclopentane is sourced from PubChem (CID 63630483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).