(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one

C15H26O3 — CID 52953252

IUPAC(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H](CCC[C@@H]1CC=CC(=O)O1)OC
InChIInChI=1S/C15H26O3/c1-3-4-5-8-13(17-2)9-6-10-14-11-7-12-15(16)18-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyDHBLYUJYBXTXMF-UONOGXRCSA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds9

About (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one

(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one (PubChem CID 52953252) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one
PubChem CID52953252
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H](CCC[C@@H]1CC=CC(=O)O1)OC
InChIInChI=1S/C15H26O3/c1-3-4-5-8-13(17-2)9-6-10-14-11-7-12-15(16)18-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyDHBLYUJYBXTXMF-UONOGXRCSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one (CID 52953252) is (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one is CCCCC[C@@H](CCC[C@@H]1CC=CC(=O)O1)OC.
What is the InChIKey of (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one?
The InChIKey is DHBLYUJYBXTXMF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-4-5-8-13(17-2)9-6-10-14-11-7-12-15(16)18-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one?
(2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one has a molecular weight of 254.37 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-4-methoxynonyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 52953252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).