4-propyloxane

C8H16O — CID 21482443

IUPAC4-propyloxane
SMILESCCCC1CCOCC1
InChIInChI=1S/C8H16O/c1-2-3-8-4-6-9-7-5-8/h8H,2-7H2,1H3
InChIKeyDOTGCKROZAXOOV-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds2

About 4-propyloxane

4-propyloxane (PubChem CID 21482443) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-propyloxane.

Molecular Properties

Compound Name4-propyloxane
PubChem CID21482443
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name4-propyloxane
SMILESCCCC1CCOCC1
InChIInChI=1S/C8H16O/c1-2-3-8-4-6-9-7-5-8/h8H,2-7H2,1H3
InChIKeyDOTGCKROZAXOOV-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-propyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyloxane?
The IUPAC name of 4-propyloxane (CID 21482443) is 4-propyloxane.
What is the SMILES notation for 4-propyloxane?
The canonical SMILES for 4-propyloxane is CCCC1CCOCC1.
What is the InChIKey of 4-propyloxane?
The InChIKey is DOTGCKROZAXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-8-4-6-9-7-5-8/h8H,2-7H2,1H3.
What are the key properties of 4-propyloxane?
4-propyloxane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloxane is sourced from PubChem (CID 21482443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).