2-(oxan-2-yloxymethyl)pentyl propanoate

C14H26O4 — CID 138656444

IUPAC2-(oxan-2-yloxymethyl)pentyl propanoate
SMILESCCCC(COC(=O)CC)COC1CCCCO1
InChIInChI=1S/C14H26O4/c1-3-7-12(10-17-13(15)4-2)11-18-14-8-5-6-9-16-14/h12,14H,3-11H2,1-2H3
InChIKeyAPKODQWEIZBFOE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds8

About 2-(oxan-2-yloxymethyl)pentyl propanoate

2-(oxan-2-yloxymethyl)pentyl propanoate (PubChem CID 138656444) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)pentyl propanoate.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)pentyl propanoate
PubChem CID138656444
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(oxan-2-yloxymethyl)pentyl propanoate
SMILESCCCC(COC(=O)CC)COC1CCCCO1
InChIInChI=1S/C14H26O4/c1-3-7-12(10-17-13(15)4-2)11-18-14-8-5-6-9-16-14/h12,14H,3-11H2,1-2H3
InChIKeyAPKODQWEIZBFOE-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-2-yloxymethyl)pentyl propanoate 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-(oxan-2-yloxymethyl)pentyl propanoate?
The IUPAC name of 2-(oxan-2-yloxymethyl)pentyl propanoate (CID 138656444) is 2-(oxan-2-yloxymethyl)pentyl propanoate.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)pentyl propanoate?
The canonical SMILES for 2-(oxan-2-yloxymethyl)pentyl propanoate is CCCC(COC(=O)CC)COC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)pentyl propanoate?
The InChIKey is APKODQWEIZBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-7-12(10-17-13(15)4-2)11-18-14-8-5-6-9-16-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-(oxan-2-yloxymethyl)pentyl propanoate?
2-(oxan-2-yloxymethyl)pentyl propanoate has a molecular weight of 258.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)pentyl propanoate is sourced from PubChem (CID 138656444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).