(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran

C23H44O — CID 134931012

IUPAC(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran
SMILESCCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC)O1
InChIInChI=1S/C23H44O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24-22)19-16-14-12-10-8-6-4-2/h17,20,22-23H,3-16,18-19,21H2,1-2H3/t22-,23-/m0/s1
InChIKeyFYTZOAIGWIHKGW-GOTSBHOMSA-N
MW336.60 g/mol
LogP7.98
Rot. Bonds16

About (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran

(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran (PubChem CID 134931012) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran
PubChem CID134931012
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran
SMILESCCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC)O1
InChIInChI=1S/C23H44O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24-22)19-16-14-12-10-8-6-4-2/h17,20,22-23H,3-16,18-19,21H2,1-2H3/t22-,23-/m0/s1
InChIKeyFYTZOAIGWIHKGW-GOTSBHOMSA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.98
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'}

Analyze (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran (CID 134931012) is (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran is CCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC)O1.
What is the InChIKey of (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran?
The InChIKey is FYTZOAIGWIHKGW-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H44O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24-22)19-16-14-12-10-8-6-4-2/h17,20,22-23H,3-16,18-19,21H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran?
(2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran has a molecular weight of 336.60 g/mol, XLogP of 7.98, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-di(nonyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134931012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).