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

C10H18O2 — CID 18783514

IUPAC3-pentyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCCC1C=CC(O)OC1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyQREXWQQMNBCSBB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds4

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

3-pentyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783514) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-pentyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-pentyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783514
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-pentyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCCC1C=CC(O)OC1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyQREXWQQMNBCSBB-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-pentyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-pentyl-3,6-dihydro-2H-pyran-6-ol (CID 18783514) is 3-pentyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-pentyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-pentyl-3,6-dihydro-2H-pyran-6-ol is CCCCCC1C=CC(O)OC1.
What is the InChIKey of 3-pentyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is QREXWQQMNBCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 3-pentyl-3,6-dihydro-2H-pyran-6-ol?
3-pentyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).