(Z)-5-(oxolan-2-yl)pent-3-enal

C9H14O2 — CID 117267682

IUPAC(Z)-5-(oxolan-2-yl)pent-3-enal
SMILESO=CC/C=C\CC1CCCO1
InChIInChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,7,9H,3-6,8H2/b2-1-
InChIKeyPQSSTCXYHDLEPP-UPHRSURJSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds4

About (Z)-5-(oxolan-2-yl)pent-3-enal

(Z)-5-(oxolan-2-yl)pent-3-enal (PubChem CID 117267682) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-5-(oxolan-2-yl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(oxolan-2-yl)pent-3-enal
PubChem CID117267682
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(Z)-5-(oxolan-2-yl)pent-3-enal
SMILESO=CC/C=C\CC1CCCO1
InChIInChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,7,9H,3-6,8H2/b2-1-
InChIKeyPQSSTCXYHDLEPP-UPHRSURJSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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)-5-(oxolan-2-yl)pent-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

2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane
CID 57155839
2-[(Z)-4-isocyanatobut-2-enyl]oxolane
CID 117267649
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
2-(oxetan-2-yl)acetaldehyde
CID 53346577
2-[(2S)-oxetan-2-yl]acetaldehyde
CID 124631667
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(2R)-2-ethyloxolane
CID 641529
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
5-(oxepan-2-yl)pentanal
CID 57144478
(E)-4-(oxolan-2-ylmethylsulfanyl)but-2-enoic acid
CID 106493630

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(oxolan-2-yl)pent-3-enal?
The IUPAC name of (Z)-5-(oxolan-2-yl)pent-3-enal (CID 117267682) is (Z)-5-(oxolan-2-yl)pent-3-enal.
What is the SMILES notation for (Z)-5-(oxolan-2-yl)pent-3-enal?
The canonical SMILES for (Z)-5-(oxolan-2-yl)pent-3-enal is O=CC/C=C\CC1CCCO1.
What is the InChIKey of (Z)-5-(oxolan-2-yl)pent-3-enal?
The InChIKey is PQSSTCXYHDLEPP-UPHRSURJSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,7,9H,3-6,8H2/b2-1-.
What are the key properties of (Z)-5-(oxolan-2-yl)pent-3-enal?
(Z)-5-(oxolan-2-yl)pent-3-enal has a molecular weight of 154.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(oxolan-2-yl)pent-3-enal is sourced from PubChem (CID 117267682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).