5-methoxy-4-propyloxolan-2-one

C8H14O3 — CID 70561172

IUPAC5-methoxy-4-propyloxolan-2-one
SMILESCCCC1CC(=O)OC1OC
InChIInChI=1S/C8H14O3/c1-3-4-6-5-7(9)11-8(6)10-2/h6,8H,3-5H2,1-2H3
InChIKeyKHOYFBWRQSTUPU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.32
Rot. Bonds3

About 5-methoxy-4-propyloxolan-2-one

5-methoxy-4-propyloxolan-2-one (PubChem CID 70561172) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-methoxy-4-propyloxolan-2-one.

Molecular Properties

Compound Name5-methoxy-4-propyloxolan-2-one
PubChem CID70561172
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-methoxy-4-propyloxolan-2-one
SMILESCCCC1CC(=O)OC1OC
InChIInChI=1S/C8H14O3/c1-3-4-6-5-7(9)11-8(6)10-2/h6,8H,3-5H2,1-2H3
InChIKeyKHOYFBWRQSTUPU-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propyloxolan-2-one?
The IUPAC name of 5-methoxy-4-propyloxolan-2-one (CID 70561172) is 5-methoxy-4-propyloxolan-2-one.
What is the SMILES notation for 5-methoxy-4-propyloxolan-2-one?
The canonical SMILES for 5-methoxy-4-propyloxolan-2-one is CCCC1CC(=O)OC1OC.
What is the InChIKey of 5-methoxy-4-propyloxolan-2-one?
The InChIKey is KHOYFBWRQSTUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-6-5-7(9)11-8(6)10-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 5-methoxy-4-propyloxolan-2-one?
5-methoxy-4-propyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propyloxolan-2-one is sourced from PubChem (CID 70561172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).