(2E)-5-(oxan-3-yl)penta-2,4-dienal

C10H14O2 — CID 175447865

IUPAC(2E)-5-(oxan-3-yl)penta-2,4-dienal
SMILESO=C/C=C/C=CC1CCCOC1
InChIInChI=1S/C10H14O2/c11-7-3-1-2-5-10-6-4-8-12-9-10/h1-3,5,7,10H,4,6,8-9H2/b3-1+,5-2?
InChIKeyLVHRWEJXSKCPSH-WVDGYHJRSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds3

About (2E)-5-(oxan-3-yl)penta-2,4-dienal

(2E)-5-(oxan-3-yl)penta-2,4-dienal (PubChem CID 175447865) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2E)-5-(oxan-3-yl)penta-2,4-dienal.

Molecular Properties

Compound Name(2E)-5-(oxan-3-yl)penta-2,4-dienal
PubChem CID175447865
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2E)-5-(oxan-3-yl)penta-2,4-dienal
SMILESO=C/C=C/C=CC1CCCOC1
InChIInChI=1S/C10H14O2/c11-7-3-1-2-5-10-6-4-8-12-9-10/h1-3,5,7,10H,4,6,8-9H2/b3-1+,5-2?
InChIKeyLVHRWEJXSKCPSH-WVDGYHJRSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-(oxan-3-yl)penta-2,4-dienal?
The IUPAC name of (2E)-5-(oxan-3-yl)penta-2,4-dienal (CID 175447865) is (2E)-5-(oxan-3-yl)penta-2,4-dienal.
What is the SMILES notation for (2E)-5-(oxan-3-yl)penta-2,4-dienal?
The canonical SMILES for (2E)-5-(oxan-3-yl)penta-2,4-dienal is O=C/C=C/C=CC1CCCOC1.
What is the InChIKey of (2E)-5-(oxan-3-yl)penta-2,4-dienal?
The InChIKey is LVHRWEJXSKCPSH-WVDGYHJRSA-N. The full InChI is InChI=1S/C10H14O2/c11-7-3-1-2-5-10-6-4-8-12-9-10/h1-3,5,7,10H,4,6,8-9H2/b3-1+,5-2?.
What are the key properties of (2E)-5-(oxan-3-yl)penta-2,4-dienal?
(2E)-5-(oxan-3-yl)penta-2,4-dienal has a molecular weight of 166.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(oxan-3-yl)penta-2,4-dienal is sourced from PubChem (CID 175447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).