3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde

C8H11ClO2 — CID 131234948

IUPAC3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde
SMILESO=CC1(C/C=C/Cl)CCOC1
InChIInChI=1S/C8H11ClO2/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4,6H,2-3,5,7H2/b4-1+
InChIKeyACNGUFZUJNEVGU-DAFODLJHSA-N
MW174.63 g/mol
LogP1.73
Rot. Bonds3

About 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde

3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde (PubChem CID 131234948) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde
PubChem CID131234948
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde
SMILESO=CC1(C/C=C/Cl)CCOC1
InChIInChI=1S/C8H11ClO2/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4,6H,2-3,5,7H2/b4-1+
InChIKeyACNGUFZUJNEVGU-DAFODLJHSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde (CID 131234948) is 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde is O=CC1(C/C=C/Cl)CCOC1.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde?
The InChIKey is ACNGUFZUJNEVGU-DAFODLJHSA-N. The full InChI is InChI=1S/C8H11ClO2/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4,6H,2-3,5,7H2/b4-1+.
What are the key properties of 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde?
3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde has a molecular weight of 174.63 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-2-enyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 131234948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).