(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal

C12H16O3 — CID 11264254

IUPAC(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal
SMILESCCc1oc([C@@H](C)C=O)c(C)c(=O)c1C
InChIInChI=1S/C12H16O3/c1-5-10-8(3)11(14)9(4)12(15-10)7(2)6-13/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyVUOLQJIBKKMEJO-ZETCQYMHSA-N
MW208.26 g/mol
LogP2.12
Rot. Bonds3

About (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal

(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal (PubChem CID 11264254) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal.

Molecular Properties

Compound Name(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal
PubChem CID11264254
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal
SMILESCCc1oc([C@@H](C)C=O)c(C)c(=O)c1C
InChIInChI=1S/C12H16O3/c1-5-10-8(3)11(14)9(4)12(15-10)7(2)6-13/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyVUOLQJIBKKMEJO-ZETCQYMHSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal?
The IUPAC name of (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal (CID 11264254) is (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal.
What is the SMILES notation for (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal?
The canonical SMILES for (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal is CCc1oc([C@@H](C)C=O)c(C)c(=O)c1C.
What is the InChIKey of (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal?
The InChIKey is VUOLQJIBKKMEJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-10-8(3)11(14)9(4)12(15-10)7(2)6-13/h6-7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal?
(2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal has a molecular weight of 208.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)propanal is sourced from PubChem (CID 11264254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).