1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol

C8H16O2S — CID 15304225

IUPAC1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol
SMILESCCC(O)C1(CC)OCCS1
InChIInChI=1S/C8H16O2S/c1-3-7(9)8(4-2)10-5-6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyDGJXBMDMBJXDIB-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol

1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol (PubChem CID 15304225) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol
PubChem CID15304225
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol
SMILESCCC(O)C1(CC)OCCS1
InChIInChI=1S/C8H16O2S/c1-3-7(9)8(4-2)10-5-6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyDGJXBMDMBJXDIB-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol (CID 15304225) is 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol is CCC(O)C1(CC)OCCS1.
What is the InChIKey of 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol?
The InChIKey is DGJXBMDMBJXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-7(9)8(4-2)10-5-6-11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol?
1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol has a molecular weight of 176.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-oxathiolan-2-yl)propan-1-ol is sourced from PubChem (CID 15304225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).