3-buta-1,3-dienyl-2H-pyran-2-ol

C9H10O2 — CID 153410661

IUPAC3-buta-1,3-dienyl-2H-pyran-2-ol
SMILESC=CC=CC1=CC=COC1O
InChIInChI=1S/C9H10O2/c1-2-3-5-8-6-4-7-11-9(8)10/h2-7,9-10H,1H2
InChIKeyJTSUXFVXLIKESH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.52
Rot. Bonds2

About 3-buta-1,3-dienyl-2H-pyran-2-ol

3-buta-1,3-dienyl-2H-pyran-2-ol (PubChem CID 153410661) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-buta-1,3-dienyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3-buta-1,3-dienyl-2H-pyran-2-ol
PubChem CID153410661
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-buta-1,3-dienyl-2H-pyran-2-ol
SMILESC=CC=CC1=CC=COC1O
InChIInChI=1S/C9H10O2/c1-2-3-5-8-6-4-7-11-9(8)10/h2-7,9-10H,1H2
InChIKeyJTSUXFVXLIKESH-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dienyl-2H-pyran-2-ol?
The IUPAC name of 3-buta-1,3-dienyl-2H-pyran-2-ol (CID 153410661) is 3-buta-1,3-dienyl-2H-pyran-2-ol.
What is the SMILES notation for 3-buta-1,3-dienyl-2H-pyran-2-ol?
The canonical SMILES for 3-buta-1,3-dienyl-2H-pyran-2-ol is C=CC=CC1=CC=COC1O.
What is the InChIKey of 3-buta-1,3-dienyl-2H-pyran-2-ol?
The InChIKey is JTSUXFVXLIKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-3-5-8-6-4-7-11-9(8)10/h2-7,9-10H,1H2.
What are the key properties of 3-buta-1,3-dienyl-2H-pyran-2-ol?
3-buta-1,3-dienyl-2H-pyran-2-ol has a molecular weight of 150.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dienyl-2H-pyran-2-ol is sourced from PubChem (CID 153410661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).