4-methoxy-2-propyloxolane

C8H16O2 — CID 59734010

IUPAC4-methoxy-2-propyloxolane
SMILESCCCC1CC(OC)CO1
InChIInChI=1S/C8H16O2/c1-3-4-7-5-8(9-2)6-10-7/h7-8H,3-6H2,1-2H3
InChIKeyZNTGUNIBWPYUSV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds3

About 4-methoxy-2-propyloxolane

4-methoxy-2-propyloxolane (PubChem CID 59734010) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methoxy-2-propyloxolane.

Molecular Properties

Compound Name4-methoxy-2-propyloxolane
PubChem CID59734010
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methoxy-2-propyloxolane
SMILESCCCC1CC(OC)CO1
InChIInChI=1S/C8H16O2/c1-3-4-7-5-8(9-2)6-10-7/h7-8H,3-6H2,1-2H3
InChIKeyZNTGUNIBWPYUSV-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propyloxolane?
The IUPAC name of 4-methoxy-2-propyloxolane (CID 59734010) is 4-methoxy-2-propyloxolane.
What is the SMILES notation for 4-methoxy-2-propyloxolane?
The canonical SMILES for 4-methoxy-2-propyloxolane is CCCC1CC(OC)CO1.
What is the InChIKey of 4-methoxy-2-propyloxolane?
The InChIKey is ZNTGUNIBWPYUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-7-5-8(9-2)6-10-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-2-propyloxolane?
4-methoxy-2-propyloxolane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propyloxolane is sourced from PubChem (CID 59734010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).