3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane

C13H26O2 — CID 21136593

IUPAC3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCCC
InChIInChI=1S/C13H26O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5H,1,6-12H2,2-4H3
InChIKeyMERURMGJRDCNTG-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.42
Rot. Bonds10

About 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane

3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane (PubChem CID 21136593) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane
PubChem CID21136593
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCCC
InChIInChI=1S/C13H26O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5H,1,6-12H2,2-4H3
InChIKeyMERURMGJRDCNTG-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane 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 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane?
The IUPAC name of 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane (CID 21136593) is 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane.
What is the SMILES notation for 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane?
The canonical SMILES for 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane is C=CCOCC(CC)(CC)COCCC.
What is the InChIKey of 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane?
The InChIKey is MERURMGJRDCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5H,1,6-12H2,2-4H3.
What are the key properties of 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane?
3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane has a molecular weight of 214.35 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)-3-(propoxymethyl)pentane is sourced from PubChem (CID 21136593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).