4-[3-(oxolan-2-yl)propyl]thiolan-3-one

C11H18O2S — CID 83195440

IUPAC4-[3-(oxolan-2-yl)propyl]thiolan-3-one
SMILESO=C1CSCC1CCCC1CCCO1
InChIInChI=1S/C11H18O2S/c12-11-8-14-7-9(11)3-1-4-10-5-2-6-13-10/h9-10H,1-8H2
InChIKeyDUVYNOMJYOFJJG-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.27
Rot. Bonds4

About 4-[3-(oxolan-2-yl)propyl]thiolan-3-one

4-[3-(oxolan-2-yl)propyl]thiolan-3-one (PubChem CID 83195440) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propyl]thiolan-3-one.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propyl]thiolan-3-one
PubChem CID83195440
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name4-[3-(oxolan-2-yl)propyl]thiolan-3-one
SMILESO=C1CSCC1CCCC1CCCO1
InChIInChI=1S/C11H18O2S/c12-11-8-14-7-9(11)3-1-4-10-5-2-6-13-10/h9-10H,1-8H2
InChIKeyDUVYNOMJYOFJJG-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propyl]thiolan-3-one?
The IUPAC name of 4-[3-(oxolan-2-yl)propyl]thiolan-3-one (CID 83195440) is 4-[3-(oxolan-2-yl)propyl]thiolan-3-one.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propyl]thiolan-3-one?
The canonical SMILES for 4-[3-(oxolan-2-yl)propyl]thiolan-3-one is O=C1CSCC1CCCC1CCCO1.
What is the InChIKey of 4-[3-(oxolan-2-yl)propyl]thiolan-3-one?
The InChIKey is DUVYNOMJYOFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c12-11-8-14-7-9(11)3-1-4-10-5-2-6-13-10/h9-10H,1-8H2.
What are the key properties of 4-[3-(oxolan-2-yl)propyl]thiolan-3-one?
4-[3-(oxolan-2-yl)propyl]thiolan-3-one has a molecular weight of 214.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propyl]thiolan-3-one is sourced from PubChem (CID 83195440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).