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

C8H14O2 — CID 18783500

IUPAC5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CCCOC1O
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h5,8-9H,2-4,6H2,1H3
InChIKeyBBKVISHLJAEDGL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds2

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

5-propyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783500) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-propyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name5-propyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783500
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CCCOC1O
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h5,8-9H,2-4,6H2,1H3
InChIKeyBBKVISHLJAEDGL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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 5-propyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 5-propyl-3,6-dihydro-2H-pyran-6-ol (CID 18783500) is 5-propyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 5-propyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 5-propyl-3,6-dihydro-2H-pyran-6-ol is CCCC1=CCCOC1O.
What is the InChIKey of 5-propyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is BBKVISHLJAEDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 5-propyl-3,6-dihydro-2H-pyran-6-ol?
5-propyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).