2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde

C14H24O4 — CID 54243283

IUPAC2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde
SMILESC=CCOCC(CC)(COCC=C)COCC=O
InChIInChI=1S/C14H24O4/c1-4-8-16-11-14(6-3,12-17-9-5-2)13-18-10-7-15/h4-5,7H,1-2,6,8-13H2,3H3
InChIKeyFKZVLOWRNYLYSS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.00
Rot. Bonds13

About 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde

2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde (PubChem CID 54243283) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde
PubChem CID54243283
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde
SMILESC=CCOCC(CC)(COCC=C)COCC=O
InChIInChI=1S/C14H24O4/c1-4-8-16-11-14(6-3,12-17-9-5-2)13-18-10-7-15/h4-5,7H,1-2,6,8-13H2,3H3
InChIKeyFKZVLOWRNYLYSS-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.00
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde?
The IUPAC name of 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde (CID 54243283) is 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde.
What is the SMILES notation for 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde?
The canonical SMILES for 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde is C=CCOCC(CC)(COCC=C)COCC=O.
What is the InChIKey of 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde?
The InChIKey is FKZVLOWRNYLYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-8-16-11-14(6-3,12-17-9-5-2)13-18-10-7-15/h4-5,7H,1-2,6,8-13H2,3H3.
What are the key properties of 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde?
2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde has a molecular weight of 256.34 g/mol, XLogP of 2.00, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(prop-2-enoxymethyl)butoxy]acetaldehyde is sourced from PubChem (CID 54243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).