(2S)-2-pentyl-2,3-dihydropyran-4-one

C10H16O2 — CID 10197880

IUPAC(2S)-2-pentyl-2,3-dihydropyran-4-one
SMILESCCCCC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-10-8-9(11)6-7-12-10/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyQIWXWAKHFMFSBO-JTQLQIEISA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About (2S)-2-pentyl-2,3-dihydropyran-4-one

(2S)-2-pentyl-2,3-dihydropyran-4-one (PubChem CID 10197880) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-pentyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-pentyl-2,3-dihydropyran-4-one
PubChem CID10197880
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S)-2-pentyl-2,3-dihydropyran-4-one
SMILESCCCCC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-10-8-9(11)6-7-12-10/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyQIWXWAKHFMFSBO-JTQLQIEISA-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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Related Compounds

(2R)-2-pentyl-2,3-dihydropyran-4-one
CID 12016843
(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
4H-Pyran-4-one, 2-butyl-2,3-dihydro-
CID 10920723
(1E)-1-methoxy-1-decen-3-one
CID 14063551
2-Butyl-5-methyl-2,3-dihydropyran-4-one
CID 130036444
(2S)-2-butyl-2,3-dihydropyran-4-one
CID 134896190
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
2-(5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluorodecyl)-2,3-dihydropyran-4-one
CID 10950806
2-(5,5,6,6,7,7,8,8,8-Nonafluorooctyl)-2,3-dihydropyran-4-one
CID 85746790
(2S)-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2,3-dihydropyran-4-one
CID 101060060
(2S)-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-2,3-dihydropyran-4-one
CID 101060062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-pentyl-2,3-dihydropyran-4-one (CID 10197880) is (2S)-2-pentyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-pentyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-pentyl-2,3-dihydropyran-4-one is CCCCC[C@H]1CC(=O)C=CO1.
What is the InChIKey of (2S)-2-pentyl-2,3-dihydropyran-4-one?
The InChIKey is QIWXWAKHFMFSBO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-10-8-9(11)6-7-12-10/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-pentyl-2,3-dihydropyran-4-one?
(2S)-2-pentyl-2,3-dihydropyran-4-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 (2S)-2-pentyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 10197880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).