2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene

C13H26O3 — CID 134424023

IUPAC2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene
SMILESC=C(CCC)COCCOCCOCCC
InChIInChI=1S/C13H26O3/c1-4-6-13(3)12-16-11-10-15-9-8-14-7-5-2/h3-12H2,1-2H3
InChIKeyYZBKJCOCZMKCFY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.80
Rot. Bonds12

About 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene

2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene (PubChem CID 134424023) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene.

Molecular Properties

Compound Name2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene
PubChem CID134424023
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene
SMILESC=C(CCC)COCCOCCOCCC
InChIInChI=1S/C13H26O3/c1-4-6-13(3)12-16-11-10-15-9-8-14-7-5-2/h3-12H2,1-2H3
InChIKeyYZBKJCOCZMKCFY-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene 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-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene?
The IUPAC name of 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene (CID 134424023) is 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene.
What is the SMILES notation for 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene?
The canonical SMILES for 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene is C=C(CCC)COCCOCCOCCC.
What is the InChIKey of 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene?
The InChIKey is YZBKJCOCZMKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-13(3)12-16-11-10-15-9-8-14-7-5-2/h3-12H2,1-2H3.
What are the key properties of 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene?
2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene has a molecular weight of 230.35 g/mol, XLogP of 2.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propoxyethoxy)ethoxymethyl]pent-1-ene is sourced from PubChem (CID 134424023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).