ethoxymethoxymethoxyethane;furan-2-carbaldehyde

C11H18O5 — CID 87637713

IUPACethoxymethoxymethoxyethane;furan-2-carbaldehyde
SMILESCCOCOCOCC.O=Cc1ccco1
InChIInChI=1S/C6H14O3.C5H4O2/c1-3-7-5-9-6-8-4-2;6-4-5-2-1-3-7-5/h3-6H2,1-2H3;1-4H
InChIKeyISWVJIYLGWFAHQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.08
Rot. Bonds7

About ethoxymethoxymethoxyethane;furan-2-carbaldehyde

ethoxymethoxymethoxyethane;furan-2-carbaldehyde (PubChem CID 87637713) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethoxymethoxymethoxyethane;furan-2-carbaldehyde.

Molecular Properties

Compound Nameethoxymethoxymethoxyethane;furan-2-carbaldehyde
PubChem CID87637713
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethoxymethoxymethoxyethane;furan-2-carbaldehyde
SMILESCCOCOCOCC.O=Cc1ccco1
InChIInChI=1S/C6H14O3.C5H4O2/c1-3-7-5-9-6-8-4-2;6-4-5-2-1-3-7-5/h3-6H2,1-2H3;1-4H
InChIKeyISWVJIYLGWFAHQ-UHFFFAOYSA-N
XLogP2.08
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.08
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxymethoxymethoxyethane;furan-2-carbaldehyde?
The IUPAC name of ethoxymethoxymethoxyethane;furan-2-carbaldehyde (CID 87637713) is ethoxymethoxymethoxyethane;furan-2-carbaldehyde.
What is the SMILES notation for ethoxymethoxymethoxyethane;furan-2-carbaldehyde?
The canonical SMILES for ethoxymethoxymethoxyethane;furan-2-carbaldehyde is CCOCOCOCC.O=Cc1ccco1.
What is the InChIKey of ethoxymethoxymethoxyethane;furan-2-carbaldehyde?
The InChIKey is ISWVJIYLGWFAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H4O2/c1-3-7-5-9-6-8-4-2;6-4-5-2-1-3-7-5/h3-6H2,1-2H3;1-4H.
What are the key properties of ethoxymethoxymethoxyethane;furan-2-carbaldehyde?
ethoxymethoxymethoxyethane;furan-2-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethoxymethoxyethane;furan-2-carbaldehyde is sourced from PubChem (CID 87637713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).