6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde

C13H16O4 — CID 11791187

IUPAC6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde
SMILESCOc1cc(C2CCCCC2)oc(=O)c1C=O
InChIInChI=1S/C13H16O4/c1-16-12-7-11(9-5-3-2-4-6-9)17-13(15)10(12)8-14/h7-9H,2-6H2,1H3
InChIKeyYKWBOZFANITTPJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds3

About 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde

6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde (PubChem CID 11791187) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde
PubChem CID11791187
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde
SMILESCOc1cc(C2CCCCC2)oc(=O)c1C=O
InChIInChI=1S/C13H16O4/c1-16-12-7-11(9-5-3-2-4-6-9)17-13(15)10(12)8-14/h7-9H,2-6H2,1H3
InChIKeyYKWBOZFANITTPJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
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-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde?
The IUPAC name of 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde (CID 11791187) is 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde.
What is the SMILES notation for 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde?
The canonical SMILES for 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde is COc1cc(C2CCCCC2)oc(=O)c1C=O.
What is the InChIKey of 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde?
The InChIKey is YKWBOZFANITTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-12-7-11(9-5-3-2-4-6-9)17-13(15)10(12)8-14/h7-9H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde?
6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-methoxy-2-oxopyran-3-carbaldehyde is sourced from PubChem (CID 11791187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).