2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol

C13H24O3 — CID 10656978

IUPAC2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol
SMILESOCCCCCCCCC1CC=CC(O)O1
InChIInChI=1S/C13H24O3/c14-11-6-4-2-1-3-5-8-12-9-7-10-13(15)16-12/h7,10,12-15H,1-6,8-9,11H2
InChIKeyRRYYGMRBYHKCAV-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.37
Rot. Bonds8

About 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol

2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 10656978) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID10656978
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol
SMILESOCCCCCCCCC1CC=CC(O)O1
InChIInChI=1S/C13H24O3/c14-11-6-4-2-1-3-5-8-12-9-7-10-13(15)16-12/h7,10,12-15H,1-6,8-9,11H2
InChIKeyRRYYGMRBYHKCAV-UHFFFAOYSA-N
XLogP2.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol (CID 10656978) is 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol is OCCCCCCCCC1CC=CC(O)O1.
What is the InChIKey of 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is RRYYGMRBYHKCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-11-6-4-2-1-3-5-8-12-9-7-10-13(15)16-12/h7,10,12-15H,1-6,8-9,11H2.
What are the key properties of 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol?
2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 228.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxyoctyl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 10656978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).