2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde

C9H16O5 — CID 170897748

IUPAC2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCC1OCCO1
InChIInChI=1S/C9H16O5/c10-2-4-12-6-5-11-3-1-9-13-7-8-14-9/h2,9H,1,3-8H2
InChIKeyQVNIEHMPTVATOJ-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.02
Rot. Bonds8

About 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde

2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde (PubChem CID 170897748) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
PubChem CID170897748
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
SMILESO=CCOCCOCCC1OCCO1
InChIInChI=1S/C9H16O5/c10-2-4-12-6-5-11-3-1-9-13-7-8-14-9/h2,9H,1,3-8H2
InChIKeyQVNIEHMPTVATOJ-UHFFFAOYSA-N
XLogP-0.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
CID 104563941
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
CID 67828627
2-(2-oxoethoxy)ethyl hypobromite
CID 87256554
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
CID 118439625
2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
CID 90202042
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
CID 66472542
6-(1,3-dioxolan-2-yl)hexanal
CID 13164762
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde (CID 170897748) is 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde is O=CCOCCOCCC1OCCO1.
What is the InChIKey of 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde?
The InChIKey is QVNIEHMPTVATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c10-2-4-12-6-5-11-3-1-9-13-7-8-14-9/h2,9H,1,3-8H2.
What are the key properties of 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde?
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde has a molecular weight of 204.22 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde is sourced from PubChem (CID 170897748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).