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

C9H14O2 — CID 142737385

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
SMILESCC=CC(O)C1CCC=CO1
InChIInChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,4-5,7-10H,3,6H2,1H3
InChIKeyCLFPRBKUSVGPKS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.62
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol (PubChem CID 142737385) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
PubChem CID142737385
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
SMILESCC=CC(O)C1CCC=CO1
InChIInChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,4-5,7-10H,3,6H2,1H3
InChIKeyCLFPRBKUSVGPKS-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol (CID 142737385) is 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol is CC=CC(O)C1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol?
The InChIKey is CLFPRBKUSVGPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-8(10)9-6-3-4-7-11-9/h2,4-5,7-10H,3,6H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol?
1-(3,4-dihydro-2H-pyran-2-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 1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol is sourced from PubChem (CID 142737385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).