2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde

C9H12O2 — CID 143132909

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde
SMILESC=C/C=C(\C=C)COCC=O
InChIInChI=1S/C9H12O2/c1-3-5-9(4-2)8-11-7-6-10/h3-6H,1-2,7-8H2/b9-5+
InChIKeyBWCRYSVRKDVBNQ-WEVVVXLNSA-N
MW152.19 g/mol
LogP1.50
Rot. Bonds6

About 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde

2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde (PubChem CID 143132909) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde
PubChem CID143132909
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde
SMILESC=C/C=C(\C=C)COCC=O
InChIInChI=1S/C9H12O2/c1-3-5-9(4-2)8-11-7-6-10/h3-6H,1-2,7-8H2/b9-5+
InChIKeyBWCRYSVRKDVBNQ-WEVVVXLNSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde (CID 143132909) is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde is C=C/C=C(\C=C)COCC=O.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde?
The InChIKey is BWCRYSVRKDVBNQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-9(4-2)8-11-7-6-10/h3-6H,1-2,7-8H2/b9-5+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde?
2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]acetaldehyde is sourced from PubChem (CID 143132909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).