3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

C11H14O3 — CID 15765570

IUPAC3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=C(C)CC(C2=CC(=O)OC2)OC1
InChIInChI=1S/C11H14O3/c1-7-3-10(13-5-8(7)2)9-4-11(12)14-6-9/h4,10H,3,5-6H2,1-2H3
InChIKeyOEQOCIXTFSGEQN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds1

About 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (PubChem CID 15765570) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
PubChem CID15765570
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=C(C)CC(C2=CC(=O)OC2)OC1
InChIInChI=1S/C11H14O3/c1-7-3-10(13-5-8(7)2)9-4-11(12)14-6-9/h4,10H,3,5-6H2,1-2H3
InChIKeyOEQOCIXTFSGEQN-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The IUPAC name of 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (CID 15765570) is 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The canonical SMILES for 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is CC1=C(C)CC(C2=CC(=O)OC2)OC1.
What is the InChIKey of 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The InChIKey is OEQOCIXTFSGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-10(13-5-8(7)2)9-4-11(12)14-6-9/h4,10H,3,5-6H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is sourced from PubChem (CID 15765570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).