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

C8H14O2 — CID 18783538

IUPAC3-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1C=CC(O)OC1
InChIInChI=1S/C8H14O2/c1-2-3-7-4-5-8(9)10-6-7/h4-5,7-9H,2-3,6H2,1H3
InChIKeyLBNVOEXCPPAVOH-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.31
Rot. Bonds2

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

3-propyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783538) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-propyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-propyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783538
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1C=CC(O)OC1
InChIInChI=1S/C8H14O2/c1-2-3-7-4-5-8(9)10-6-7/h4-5,7-9H,2-3,6H2,1H3
InChIKeyLBNVOEXCPPAVOH-UHFFFAOYSA-N
XLogP1.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-propyl-3,6-dihydro-2H-pyran-6-ol (CID 18783538) is 3-propyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-propyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-propyl-3,6-dihydro-2H-pyran-6-ol is CCCC1C=CC(O)OC1.
What is the InChIKey of 3-propyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is LBNVOEXCPPAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-7-4-5-8(9)10-6-7/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 3-propyl-3,6-dihydro-2H-pyran-6-ol?
3-propyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 142.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).