4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol

C10H16O3 — CID 44566909

IUPAC4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol
SMILESCCCC1=C(C)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O3/c1-4-5-8-7(2)9(12-3)6-10(11)13-8/h6,10-11H,4-5H2,1-3H3
InChIKeyJSHUYGSUCGTQHJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.94
Rot. Bonds3

About 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol

4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol (PubChem CID 44566909) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol
PubChem CID44566909
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol
SMILESCCCC1=C(C)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O3/c1-4-5-8-7(2)9(12-3)6-10(11)13-8/h6,10-11H,4-5H2,1-3H3
InChIKeyJSHUYGSUCGTQHJ-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol?
The IUPAC name of 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol (CID 44566909) is 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol.
What is the SMILES notation for 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol?
The canonical SMILES for 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol is CCCC1=C(C)C(OC)=CC(O)O1.
What is the InChIKey of 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol?
The InChIKey is JSHUYGSUCGTQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-8-7(2)9(12-3)6-10(11)13-8/h6,10-11H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol?
4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol has a molecular weight of 184.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol is sourced from PubChem (CID 44566909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).