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

C11H20O2 — CID 18783536

IUPAC3-hexyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCCCC1C=CC(O)OC1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-10-7-8-11(12)13-9-10/h7-8,10-12H,2-6,9H2,1H3
InChIKeyMFPABUSZONBVNP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds5

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

3-hexyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783536) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-hexyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-hexyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783536
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-hexyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCCCC1C=CC(O)OC1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-10-7-8-11(12)13-9-10/h7-8,10-12H,2-6,9H2,1H3
InChIKeyMFPABUSZONBVNP-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
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-hexyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-hexyl-3,6-dihydro-2H-pyran-6-ol (CID 18783536) is 3-hexyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-hexyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-hexyl-3,6-dihydro-2H-pyran-6-ol is CCCCCCC1C=CC(O)OC1.
What is the InChIKey of 3-hexyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is MFPABUSZONBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-10-7-8-11(12)13-9-10/h7-8,10-12H,2-6,9H2,1H3.
What are the key properties of 3-hexyl-3,6-dihydro-2H-pyran-6-ol?
3-hexyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).