5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol

C10H16O4 — CID 44566907

IUPAC5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol
SMILESCCCC1=C(CO)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,10-12H,3-4,6H2,1-2H3
InChIKeyPNESTIDLKFVVIG-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds4

About 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol

5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol (PubChem CID 44566907) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol
PubChem CID44566907
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol
SMILESCCCC1=C(CO)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,10-12H,3-4,6H2,1-2H3
InChIKeyPNESTIDLKFVVIG-UHFFFAOYSA-N
XLogP0.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol?
The IUPAC name of 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol (CID 44566907) is 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol is CCCC1=C(CO)C(OC)=CC(O)O1.
What is the InChIKey of 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol?
The InChIKey is PNESTIDLKFVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,10-12H,3-4,6H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol?
5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol has a molecular weight of 200.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol is sourced from PubChem (CID 44566907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).