6-nonyl-2H-pyran

C14H24O — CID 91024707

IUPAC6-nonyl-2H-pyran
SMILESCCCCCCCCCC1=CC=CCO1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12H,2-8,11,13H2,1H3
InChIKeySVGNZLCYLVPSTG-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.60
Rot. Bonds8

About 6-nonyl-2H-pyran

6-nonyl-2H-pyran (PubChem CID 91024707) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-nonyl-2H-pyran.

Molecular Properties

Compound Name6-nonyl-2H-pyran
PubChem CID91024707
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-nonyl-2H-pyran
SMILESCCCCCCCCCC1=CC=CCO1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12H,2-8,11,13H2,1H3
InChIKeySVGNZLCYLVPSTG-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nonyl-2H-pyran?
The IUPAC name of 6-nonyl-2H-pyran (CID 91024707) is 6-nonyl-2H-pyran.
What is the SMILES notation for 6-nonyl-2H-pyran?
The canonical SMILES for 6-nonyl-2H-pyran is CCCCCCCCCC1=CC=CCO1.
What is the InChIKey of 6-nonyl-2H-pyran?
The InChIKey is SVGNZLCYLVPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12H,2-8,11,13H2,1H3.
What are the key properties of 6-nonyl-2H-pyran?
6-nonyl-2H-pyran has a molecular weight of 208.34 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonyl-2H-pyran is sourced from PubChem (CID 91024707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).