3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde

C13H20O2 — CID 153344095

IUPAC3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/CC1COC(C=O)C1C/C=C/C
InChIInChI=1S/C13H20O2/c1-3-5-7-11-10-15-13(9-14)12(11)8-6-4-2/h3-6,9,11-13H,7-8,10H2,1-2H3/b5-3+,6-4+
InChIKeyUYHKXPNJTIQCRL-GGWOSOGESA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds5

About 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde

3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde (PubChem CID 153344095) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde
PubChem CID153344095
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde
SMILESC/C=C/CC1COC(C=O)C1C/C=C/C
InChIInChI=1S/C13H20O2/c1-3-5-7-11-10-15-13(9-14)12(11)8-6-4-2/h3-6,9,11-13H,7-8,10H2,1-2H3/b5-3+,6-4+
InChIKeyUYHKXPNJTIQCRL-GGWOSOGESA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde?
The IUPAC name of 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde (CID 153344095) is 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde.
What is the SMILES notation for 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde?
The canonical SMILES for 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde is C/C=C/CC1COC(C=O)C1C/C=C/C.
What is the InChIKey of 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde?
The InChIKey is UYHKXPNJTIQCRL-GGWOSOGESA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-7-11-10-15-13(9-14)12(11)8-6-4-2/h3-6,9,11-13H,7-8,10H2,1-2H3/b5-3+,6-4+.
What are the key properties of 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde?
3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde has a molecular weight of 208.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(E)-but-2-enyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 153344095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).