(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C17H28O2 — CID 102284592

IUPAC(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCCCCCCCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-10-14-13-15-11-9-12-19-17(15)16(14)18/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyMAELKZQDFZDMHT-AWEZNQCLSA-N
MW264.41 g/mol
LogP4.78
Rot. Bonds8

About (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 102284592) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID102284592
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCCCCCCCC[C@H]1CC2=C(OCCC2)C1=O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-10-14-13-15-11-9-12-19-17(15)16(14)18/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyMAELKZQDFZDMHT-AWEZNQCLSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 102284592) is (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CCCCCCCCC[C@H]1CC2=C(OCCC2)C1=O.
What is the InChIKey of (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is MAELKZQDFZDMHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-10-14-13-15-11-9-12-19-17(15)16(14)18/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 264.41 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 102284592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).