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

C11H20O — CID 71393879

IUPAC3-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC1C=CCOC1
InChIInChI=1S/C11H20O/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyWWOODBKGKSBLDM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds5

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

3-hexyl-3,6-dihydro-2H-pyran (PubChem CID 71393879) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-hexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-hexyl-3,6-dihydro-2H-pyran
PubChem CID71393879
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC1C=CCOC1
InChIInChI=1S/C11H20O/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyWWOODBKGKSBLDM-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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?
The IUPAC name of 3-hexyl-3,6-dihydro-2H-pyran (CID 71393879) is 3-hexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-hexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-hexyl-3,6-dihydro-2H-pyran is CCCCCCC1C=CCOC1.
What is the InChIKey of 3-hexyl-3,6-dihydro-2H-pyran?
The InChIKey is WWOODBKGKSBLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8,11H,2-5,7,9-10H2,1H3.
What are the key properties of 3-hexyl-3,6-dihydro-2H-pyran?
3-hexyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 71393879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).