2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran

C12H20O2 — CID 19778714

IUPAC2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran
SMILESC=CCC(OCCC)C1CCC=CO1
InChIInChI=1S/C12H20O2/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12/h3,6,10-12H,1,4-5,7-9H2,2H3
InChIKeyWTQYEMVYZNHCRE-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds6

About 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran

2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran (PubChem CID 19778714) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran
PubChem CID19778714
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran
SMILESC=CCC(OCCC)C1CCC=CO1
InChIInChI=1S/C12H20O2/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12/h3,6,10-12H,1,4-5,7-9H2,2H3
InChIKeyWTQYEMVYZNHCRE-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran (CID 19778714) is 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran is C=CCC(OCCC)C1CCC=CO1.
What is the InChIKey of 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran?
The InChIKey is WTQYEMVYZNHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12/h3,6,10-12H,1,4-5,7-9H2,2H3.
What are the key properties of 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran?
2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran has a molecular weight of 196.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propoxybut-3-enyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 19778714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).