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

C9H16O2 — CID 18783534

IUPAC3-butyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCC1C=CC(O)OC1
InChIInChI=1S/C9H16O2/c1-2-3-4-8-5-6-9(10)11-7-8/h5-6,8-10H,2-4,7H2,1H3
InChIKeyCVITZKSSSZFRAS-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds3

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

3-butyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783534) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-butyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-butyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783534
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-butyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCCC1C=CC(O)OC1
InChIInChI=1S/C9H16O2/c1-2-3-4-8-5-6-9(10)11-7-8/h5-6,8-10H,2-4,7H2,1H3
InChIKeyCVITZKSSSZFRAS-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
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-butyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-butyl-3,6-dihydro-2H-pyran-6-ol (CID 18783534) is 3-butyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-butyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-butyl-3,6-dihydro-2H-pyran-6-ol is CCCCC1C=CC(O)OC1.
What is the InChIKey of 3-butyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is CVITZKSSSZFRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-8-5-6-9(10)11-7-8/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 3-butyl-3,6-dihydro-2H-pyran-6-ol?
3-butyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).