(Z)-4-(oxan-3-yl)but-3-enal

C9H14O2 — CID 117267525

IUPAC(Z)-4-(oxan-3-yl)but-3-enal
SMILESO=CC/C=C\C1CCCOC1
InChIInChI=1S/C9H14O2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,4,6,9H,2-3,5,7-8H2/b4-1-
InChIKeyIRKRSUDCIJDXAZ-RJRFIUFISA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds3

About (Z)-4-(oxan-3-yl)but-3-enal

(Z)-4-(oxan-3-yl)but-3-enal (PubChem CID 117267525) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-4-(oxan-3-yl)but-3-enal.

Molecular Properties

Compound Name(Z)-4-(oxan-3-yl)but-3-enal
PubChem CID117267525
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(Z)-4-(oxan-3-yl)but-3-enal
SMILESO=CC/C=C\C1CCCOC1
InChIInChI=1S/C9H14O2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,4,6,9H,2-3,5,7-8H2/b4-1-
InChIKeyIRKRSUDCIJDXAZ-RJRFIUFISA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
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'}

Analyze (Z)-4-(oxan-3-yl)but-3-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-ethenyloxane-4-carbaldehyde
CID 134944123
(E)-3-(oxan-4-yl)prop-2-enal
CID 19755610
Ethyl 4-(oxan-3-yl)but-3-enoate
CID 53961890
3-(Oxan-4-ylidene)propanal
CID 54107298
3-(Oxan-4-yl)prop-2-enal
CID 57259553
(2E,4E)-5-(oxan-3-yl)penta-2,4-dienal
CID 162376284
3-(Oxan-3-yl)prop-2-enal
CID 162376555
(2E)-5-(oxan-3-yl)penta-2,4-dienal
CID 175447865
(E)-2-methyl-3-(oxan-3-yl)prop-2-enal
CID 79331209
CID 79331823
CID 79331823
2-Methyl-3-(oxan-3-yl)prop-2-enal
CID 115277983
(Z)-4-(oxan-4-yl)but-2-enal
CID 117266053

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(oxan-3-yl)but-3-enal?
The IUPAC name of (Z)-4-(oxan-3-yl)but-3-enal (CID 117267525) is (Z)-4-(oxan-3-yl)but-3-enal.
What is the SMILES notation for (Z)-4-(oxan-3-yl)but-3-enal?
The canonical SMILES for (Z)-4-(oxan-3-yl)but-3-enal is O=CC/C=C\C1CCCOC1.
What is the InChIKey of (Z)-4-(oxan-3-yl)but-3-enal?
The InChIKey is IRKRSUDCIJDXAZ-RJRFIUFISA-N. The full InChI is InChI=1S/C9H14O2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,4,6,9H,2-3,5,7-8H2/b4-1-.
What are the key properties of (Z)-4-(oxan-3-yl)but-3-enal?
(Z)-4-(oxan-3-yl)but-3-enal has a molecular weight of 154.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxan-3-yl)but-3-enal is sourced from PubChem (CID 117267525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).