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

C9H16O — CID 12536732

IUPAC6-butyl-3,6-dihydro-2H-pyran
SMILESCCCCC1C=CCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyKIKGYHLKPCLKLX-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds3

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

6-butyl-3,6-dihydro-2H-pyran (PubChem CID 12536732) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-butyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-butyl-3,6-dihydro-2H-pyran
PubChem CID12536732
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6-butyl-3,6-dihydro-2H-pyran
SMILESCCCCC1C=CCCO1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyKIKGYHLKPCLKLX-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-butyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-butyl-3,6-dihydro-2H-pyran (CID 12536732) is 6-butyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-butyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-butyl-3,6-dihydro-2H-pyran is CCCCC1C=CCCO1.
What is the InChIKey of 6-butyl-3,6-dihydro-2H-pyran?
The InChIKey is KIKGYHLKPCLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 6-butyl-3,6-dihydro-2H-pyran?
6-butyl-3,6-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 12536732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).