5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde

C10H12O2 — CID 142233535

IUPAC5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESC=CC1=C(C=C)OC(C=O)CC1
InChIInChI=1S/C10H12O2/c1-3-8-5-6-9(7-11)12-10(8)4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyAFVXGCIGJORGOY-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds3

About 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde

5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 142233535) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
PubChem CID142233535
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESC=CC1=C(C=C)OC(C=O)CC1
InChIInChI=1S/C10H12O2/c1-3-8-5-6-9(7-11)12-10(8)4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyAFVXGCIGJORGOY-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
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 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde (CID 142233535) is 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde is C=CC1=C(C=C)OC(C=O)CC1.
What is the InChIKey of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is AFVXGCIGJORGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-5-6-9(7-11)12-10(8)4-2/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde?
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 142233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).