2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde

C12H16O2 — CID 57025588

IUPAC2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde
SMILESCC=CC1=COC(C=O)(C=CC)CC1
InChIInChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyQZZKUADQYSNAFB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.77
Rot. Bonds3

About 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde

2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde (PubChem CID 57025588) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde
PubChem CID57025588
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde
SMILESCC=CC1=COC(C=O)(C=CC)CC1
InChIInChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyQZZKUADQYSNAFB-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2.5-Dipentylpyranaldehyd
CID 129648125
1,4-Dipentoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88337669
1,4-Dibutoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88338883
(2S,6E)-2-methyl-6-[(Z)-3-methylhex-3-en-2-ylidene]-5-methylideneoxane-2-carbaldehyde
CID 89795982
2-[2,6-Dimethyl-6-(4-methylpent-3-enyl)pyran-3-yl]acetaldehyde
CID 89853012
5-Cyclohexa-1,3-dien-1-yl-5-methyl-4-oxofuran-2-carbaldehyde
CID 91127282
2-(1-Cyclohexa-1,3-dien-1-ylethoxy)butanal
CID 123899341
1,3-Dimethoxy-5-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 140580497
1,2-Dimethoxy-5-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 140580503
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
CID 142233534
2-Ethenyl-5-methyl-3,4-dihydropyran-2-carbaldehyde
CID 166959620
5-butyl-2H-furan-5-carbaldehyde
CID 174716932

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde?
The IUPAC name of 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde (CID 57025588) is 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde.
What is the SMILES notation for 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde?
The canonical SMILES for 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde is CC=CC1=COC(C=O)(C=CC)CC1.
What is the InChIKey of 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde?
The InChIKey is QZZKUADQYSNAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde?
2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 57025588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).