2-methoxy-5-propyloxane

C9H18O2 — CID 54555602

IUPAC2-methoxy-5-propyloxane
SMILESCCCC1CCC(OC)OC1
InChIInChI=1S/C9H18O2/c1-3-4-8-5-6-9(10-2)11-7-8/h8-9H,3-7H2,1-2H3
InChIKeyPUHLTQTWQVHJSI-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds3

About 2-methoxy-5-propyloxane

2-methoxy-5-propyloxane (PubChem CID 54555602) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-5-propyloxane.

Molecular Properties

Compound Name2-methoxy-5-propyloxane
PubChem CID54555602
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methoxy-5-propyloxane
SMILESCCCC1CCC(OC)OC1
InChIInChI=1S/C9H18O2/c1-3-4-8-5-6-9(10-2)11-7-8/h8-9H,3-7H2,1-2H3
InChIKeyPUHLTQTWQVHJSI-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-5-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 2-methoxy-5-propyloxane?
The IUPAC name of 2-methoxy-5-propyloxane (CID 54555602) is 2-methoxy-5-propyloxane.
What is the SMILES notation for 2-methoxy-5-propyloxane?
The canonical SMILES for 2-methoxy-5-propyloxane is CCCC1CCC(OC)OC1.
What is the InChIKey of 2-methoxy-5-propyloxane?
The InChIKey is PUHLTQTWQVHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-8-5-6-9(10-2)11-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-5-propyloxane?
2-methoxy-5-propyloxane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propyloxane is sourced from PubChem (CID 54555602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).