2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde

C12H16O2 — CID 19809797

IUPAC2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde
SMILESC=CCC1=COC(C=O)(CC=C)CC1
InChIInChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-4,9-10H,1-2,5-8H2
InChIKeyYRCISTVRBQNBMU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.77
Rot. Bonds5

About 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde

2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde (PubChem CID 19809797) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde
PubChem CID19809797
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde
SMILESC=CCC1=COC(C=O)(CC=C)CC1
InChIInChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-4,9-10H,1-2,5-8H2
InChIKeyYRCISTVRBQNBMU-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde?
The IUPAC name of 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde (CID 19809797) is 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde.
What is the SMILES notation for 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde?
The canonical SMILES for 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde is C=CCC1=COC(C=O)(CC=C)CC1.
What is the InChIKey of 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde?
The InChIKey is YRCISTVRBQNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde?
2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 19809797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).