(2R)-2-pentyl-2,3-dihydropyran-6-one

C10H16O2 — CID 642793

IUPAC(2R)-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyNEDIAPMWNCQWNW-SECBINFHSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About (2R)-2-pentyl-2,3-dihydropyran-6-one

(2R)-2-pentyl-2,3-dihydropyran-6-one (PubChem CID 642793) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-pentyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-pentyl-2,3-dihydropyran-6-one
PubChem CID642793
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R)-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyNEDIAPMWNCQWNW-SECBINFHSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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 (2R)-2-pentyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-pentyl-2,3-dihydropyran-6-one (CID 642793) is (2R)-2-pentyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-pentyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-pentyl-2,3-dihydropyran-6-one is CCCCC[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-pentyl-2,3-dihydropyran-6-one?
The InChIKey is NEDIAPMWNCQWNW-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-pentyl-2,3-dihydropyran-6-one?
(2R)-2-pentyl-2,3-dihydropyran-6-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 642793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).