3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal

C9H14O2 — CID 101060562

IUPAC3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal
SMILESC=C[C@H]1CCO[C@H]1CCC=O
InChIInChI=1S/C9H14O2/c1-2-8-5-7-11-9(8)4-3-6-10/h2,6,8-9H,1,3-5,7H2/t8-,9-/m0/s1
InChIKeyMATQFPAIENMKQT-IUCAKERBSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds4

About 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal

3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal (PubChem CID 101060562) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal.

Molecular Properties

Compound Name3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal
PubChem CID101060562
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal
SMILESC=C[C@H]1CCO[C@H]1CCC=O
InChIInChI=1S/C9H14O2/c1-2-8-5-7-11-9(8)4-3-6-10/h2,6,8-9H,1,3-5,7H2/t8-,9-/m0/s1
InChIKeyMATQFPAIENMKQT-IUCAKERBSA-N
XLogP1.56
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 ≤ 51.56
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'}

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Related Compounds

(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
CID 102462794
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(4S,5R)-4-pentyl-5-prop-2-enyloxolan-2-one
CID 11019794
3,5-Bis(prop-2-enyl)oxolan-2-one
CID 67854559
(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one
CID 67854561
(3R,5S)-3,5-bis(prop-2-enyl)oxolan-2-one
CID 67854562
3-Pentyl-5-prop-2-enyloxolan-2-one
CID 69612838
2-(2-But-3-enoxyethyl)cyclopentan-1-one
CID 79565442
3-Ethenyl-5-propyloxolan-2-one
CID 140132705
4-Pent-4-enyloxolan-2-one
CID 164131837
4-(4-Methyl-5-oxo-2-prop-2-enyloxolan-3-yl)butanal
CID 174323640
(2S,3R)-2-but-3-en-2-yloxolane-3-carbaldehyde
CID 175638903

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal?
The IUPAC name of 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal (CID 101060562) is 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal.
What is the SMILES notation for 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal?
The canonical SMILES for 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal is C=C[C@H]1CCO[C@H]1CCC=O.
What is the InChIKey of 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal?
The InChIKey is MATQFPAIENMKQT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-8-5-7-11-9(8)4-3-6-10/h2,6,8-9H,1,3-5,7H2/t8-,9-/m0/s1.
What are the key properties of 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal?
3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal has a molecular weight of 154.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-3-ethenyloxolan-2-yl]propanal is sourced from PubChem (CID 101060562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).