2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol

C15H28O4 — CID 559819

IUPAC2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCCCCCCCCOC1C=CC(O)C(CO)O1
InChIInChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)14(12-16)19-15/h9-10,13-17H,2-8,11-12H2,1H3
InChIKeyXCKRNVUDGPRNLB-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.39
Rot. Bonds10

About 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol

2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 559819) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID559819
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCCCCCCCCOC1C=CC(O)C(CO)O1
InChIInChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)14(12-16)19-15/h9-10,13-17H,2-8,11-12H2,1H3
InChIKeyXCKRNVUDGPRNLB-UHFFFAOYSA-N
XLogP2.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol (CID 559819) is 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol is CCCCCCCCCOC1C=CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is XCKRNVUDGPRNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(17)14(12-16)19-15/h9-10,13-17H,2-8,11-12H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol?
2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 272.38 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-nonoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 559819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).