[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone

C11H10O4 — CID 57129859

IUPAC[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
SMILESO=C=C1OCC=CC1OCc1ccco1
InChIInChI=1S/C11H10O4/c12-7-11-10(4-2-6-14-11)15-8-9-3-1-5-13-9/h1-5,10H,6,8H2
InChIKeyPXGWOQUEESHXKM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.47
Rot. Bonds3

About [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone

[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone (PubChem CID 57129859) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone.

Molecular Properties

Compound Name[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
PubChem CID57129859
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
SMILESO=C=C1OCC=CC1OCc1ccco1
InChIInChI=1S/C11H10O4/c12-7-11-10(4-2-6-14-11)15-8-9-3-1-5-13-9/h1-5,10H,6,8H2
InChIKeyPXGWOQUEESHXKM-UHFFFAOYSA-N
XLogP1.47
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The IUPAC name of [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone (CID 57129859) is [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone.
What is the SMILES notation for [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The canonical SMILES for [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone is O=C=C1OCC=CC1OCc1ccco1.
What is the InChIKey of [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The InChIKey is PXGWOQUEESHXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-7-11-10(4-2-6-14-11)15-8-9-3-1-5-13-9/h1-5,10H,6,8H2.
What are the key properties of [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
[5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone has a molecular weight of 206.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone is sourced from PubChem (CID 57129859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).