3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol

C9H16O2 — CID 18783517

IUPAC3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CC(C)COC1O
InChIInChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyRFEPWHRAQSVAIK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds2

About 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol

3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783517) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783517
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CC(C)COC1O
InChIInChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyRFEPWHRAQSVAIK-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-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 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol (CID 18783517) is 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol is CCCC1=CC(C)COC1O.
What is the InChIKey of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is RFEPWHRAQSVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).