3-prop-2-enyloxolane-3-carbaldehyde

C8H12O2 — CID 131026694

IUPAC3-prop-2-enyloxolane-3-carbaldehyde
SMILESC=CCC1(C=O)CCOC1
InChIInChI=1S/C8H12O2/c1-2-3-8(6-9)4-5-10-7-8/h2,6H,1,3-5,7H2
InChIKeyOIEAPJWYVCXYPQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds3

About 3-prop-2-enyloxolane-3-carbaldehyde

3-prop-2-enyloxolane-3-carbaldehyde (PubChem CID 131026694) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-prop-2-enyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-prop-2-enyloxolane-3-carbaldehyde
PubChem CID131026694
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-prop-2-enyloxolane-3-carbaldehyde
SMILESC=CCC1(C=O)CCOC1
InChIInChI=1S/C8H12O2/c1-2-3-8(6-9)4-5-10-7-8/h2,6H,1,3-5,7H2
InChIKeyOIEAPJWYVCXYPQ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
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

4-Ethenyloxane-4-carbaldehyde
CID 139026317
(3R)-2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
CID 134968588
3,3-Bis(prop-2-enyl)oxolan-2-one
CID 21582733
4-(Prop-2-en-1-yl)oxane-4-carbaldehyde
CID 124251357
3-(But-3-en-2-yl)oxolane-3-carbaldehyde
CID 126989641
3-(3-Methylbut-2-en-1-yl)oxolane-3-carbaldehyde
CID 131025290
3-(But-3-en-1-yl)oxolane-3-carbaldehyde
CID 131231237
3-(3-Chloroprop-2-en-1-yl)oxolane-3-carbaldehyde
CID 131234948
3-(But-2-en-1-yl)oxolane-3-carbaldehyde
CID 131243834
2-Oxo-3-prop-2-enyloxolane-3-carbaldehyde
CID 132820671
3-(But-3-en-2-yl)-2,2-dimethyloxolane-3-carbaldehyde
CID 165573783
3-(2-Chloroprop-2-en-1-yl)oxolane-3-carbaldehyde
CID 165587397

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyloxolane-3-carbaldehyde?
The IUPAC name of 3-prop-2-enyloxolane-3-carbaldehyde (CID 131026694) is 3-prop-2-enyloxolane-3-carbaldehyde.
What is the SMILES notation for 3-prop-2-enyloxolane-3-carbaldehyde?
The canonical SMILES for 3-prop-2-enyloxolane-3-carbaldehyde is C=CCC1(C=O)CCOC1.
What is the InChIKey of 3-prop-2-enyloxolane-3-carbaldehyde?
The InChIKey is OIEAPJWYVCXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8(6-9)4-5-10-7-8/h2,6H,1,3-5,7H2.
What are the key properties of 3-prop-2-enyloxolane-3-carbaldehyde?
3-prop-2-enyloxolane-3-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyloxolane-3-carbaldehyde is sourced from PubChem (CID 131026694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).