2,2-bis(2-ethoxyethyl)propanedial

C11H20O4 — CID 173369823

IUPAC2,2-bis(2-ethoxyethyl)propanedial
SMILESCCOCCC(C=O)(C=O)CCOCC
InChIInChI=1S/C11H20O4/c1-3-14-7-5-11(9-12,10-13)6-8-15-4-2/h9-10H,3-8H2,1-2H3
InChIKeySCCVTGOKNVRUTI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.22
Rot. Bonds10

About 2,2-bis(2-ethoxyethyl)propanedial

2,2-bis(2-ethoxyethyl)propanedial (PubChem CID 173369823) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-bis(2-ethoxyethyl)propanedial.

Molecular Properties

Compound Name2,2-bis(2-ethoxyethyl)propanedial
PubChem CID173369823
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2-bis(2-ethoxyethyl)propanedial
SMILESCCOCCC(C=O)(C=O)CCOCC
InChIInChI=1S/C11H20O4/c1-3-14-7-5-11(9-12,10-13)6-8-15-4-2/h9-10H,3-8H2,1-2H3
InChIKeySCCVTGOKNVRUTI-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dibutylpropanedial
CID 15324202
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethoxyethoxymethyl formate
CID 122645208
4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
CID 178006484
calcium;2-ethoxyacetaldehyde;hydride
CID 173410771
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
2-ethoxyethyl 2-formyl-2,4-dimethylpentanoate
CID 57075664
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-ethoxyethyl)propanedial?
The IUPAC name of 2,2-bis(2-ethoxyethyl)propanedial (CID 173369823) is 2,2-bis(2-ethoxyethyl)propanedial.
What is the SMILES notation for 2,2-bis(2-ethoxyethyl)propanedial?
The canonical SMILES for 2,2-bis(2-ethoxyethyl)propanedial is CCOCCC(C=O)(C=O)CCOCC.
What is the InChIKey of 2,2-bis(2-ethoxyethyl)propanedial?
The InChIKey is SCCVTGOKNVRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-14-7-5-11(9-12,10-13)6-8-15-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-bis(2-ethoxyethyl)propanedial?
2,2-bis(2-ethoxyethyl)propanedial has a molecular weight of 216.28 g/mol, XLogP of 1.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-ethoxyethyl)propanedial is sourced from PubChem (CID 173369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).