2-ethoxy-6-propan-2-yl-2H-pyran-5-one

C10H16O3 — CID 13041085

IUPAC2-ethoxy-6-propan-2-yl-2H-pyran-5-one
SMILESCCOC1C=CC(=O)C(C(C)C)O1
InChIInChI=1S/C10H16O3/c1-4-12-9-6-5-8(11)10(13-9)7(2)3/h5-7,9-10H,4H2,1-3H3
InChIKeyKHAFJIWMWPWOEH-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About 2-ethoxy-6-propan-2-yl-2H-pyran-5-one

2-ethoxy-6-propan-2-yl-2H-pyran-5-one (PubChem CID 13041085) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-ethoxy-6-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name2-ethoxy-6-propan-2-yl-2H-pyran-5-one
PubChem CID13041085
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-ethoxy-6-propan-2-yl-2H-pyran-5-one
SMILESCCOC1C=CC(=O)C(C(C)C)O1
InChIInChI=1S/C10H16O3/c1-4-12-9-6-5-8(11)10(13-9)7(2)3/h5-7,9-10H,4H2,1-3H3
InChIKeyKHAFJIWMWPWOEH-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-propan-2-yl-2H-pyran-5-one?
The IUPAC name of 2-ethoxy-6-propan-2-yl-2H-pyran-5-one (CID 13041085) is 2-ethoxy-6-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for 2-ethoxy-6-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for 2-ethoxy-6-propan-2-yl-2H-pyran-5-one is CCOC1C=CC(=O)C(C(C)C)O1.
What is the InChIKey of 2-ethoxy-6-propan-2-yl-2H-pyran-5-one?
The InChIKey is KHAFJIWMWPWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-12-9-6-5-8(11)10(13-9)7(2)3/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6-propan-2-yl-2H-pyran-5-one?
2-ethoxy-6-propan-2-yl-2H-pyran-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 13041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).