6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde

C9H10O4 — CID 10932053

IUPAC6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde
SMILESCOc1oc(C=O)c(C)c(=O)c1C
InChIInChI=1S/C9H10O4/c1-5-7(4-10)13-9(12-3)6(2)8(5)11/h4H,1-3H3
InChIKeyYWVVGYMBNKHSDQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.08
Rot. Bonds2

About 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde

6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde (PubChem CID 10932053) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde
PubChem CID10932053
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde
SMILESCOc1oc(C=O)c(C)c(=O)c1C
InChIInChI=1S/C9H10O4/c1-5-7(4-10)13-9(12-3)6(2)8(5)11/h4H,1-3H3
InChIKeyYWVVGYMBNKHSDQ-UHFFFAOYSA-N
XLogP1.08
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde?
The IUPAC name of 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde (CID 10932053) is 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde?
The canonical SMILES for 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde is COc1oc(C=O)c(C)c(=O)c1C.
What is the InChIKey of 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde?
The InChIKey is YWVVGYMBNKHSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-7(4-10)13-9(12-3)6(2)8(5)11/h4H,1-3H3.
What are the key properties of 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde?
6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,5-dimethyl-4-oxopyran-2-carbaldehyde is sourced from PubChem (CID 10932053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).