(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol

C9H14O2 — CID 130123097

IUPAC(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1=CCCCO1
InChIInChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,5-6,8,10H,3-4,7H2,1H3/b5-2+
InChIKeyXWIUNVHASRHEQF-GORDUTHDSA-N
MW154.21 g/mol
LogP1.62
Rot. Bonds2

About (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol

(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol (PubChem CID 130123097) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
PubChem CID130123097
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1=CCCCO1
InChIInChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,5-6,8,10H,3-4,7H2,1H3/b5-2+
InChIKeyXWIUNVHASRHEQF-GORDUTHDSA-N
XLogP1.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol 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

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde
CID 102650670
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 102654733
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
3,4-dihydro-2H-pyran-6-yl-[3-(dimethylamino)phenyl]methanol
CID 102649826
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
CID 102646549
3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanol
CID 130855556

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol?
The IUPAC name of (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol (CID 130123097) is (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol is C/C=C/C(O)C1=CCCCO1.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol?
The InChIKey is XWIUNVHASRHEQF-GORDUTHDSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,5-6,8,10H,3-4,7H2,1H3/b5-2+.
What are the key properties of (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol?
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol is sourced from PubChem (CID 130123097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).