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

C20H32O4 — CID 91936907

IUPAC(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC=CC(=O)O1.CCCCC[C@H]1CC=CC(=O)O1
InChIInChI=1S/2C10H16O2/c2*1-2-3-4-6-9-7-5-8-10(11)12-9/h2*5,8-9H,2-4,6-7H2,1H3/t2*9-/m10/s1
InChIKeyAAPBWRMANRUSHL-IGXPJQGBSA-N
MW336.47 g/mol
LogP4.88
Rot. Bonds8

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

(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one (PubChem CID 91936907) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
PubChem CID91936907
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC=CC(=O)O1.CCCCC[C@H]1CC=CC(=O)O1
InChIInChI=1S/2C10H16O2/c2*1-2-3-4-6-9-7-5-8-10(11)12-9/h2*5,8-9H,2-4,6-7H2,1H3/t2*9-/m10/s1
InChIKeyAAPBWRMANRUSHL-IGXPJQGBSA-N
XLogP4.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-2,3-dihydropyran-6-one
CID 15825660
(2S)-2-[(4R)-4-methoxynonyl]-2,3-dihydropyran-6-one
CID 52953296
2-(4-methoxynonyl)-2,3-dihydropyran-6-one
CID 75972408
2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 85185627
2-decyl-3,6-dihydro-2H-oxepin-7-one
CID 91350217
(2S)-2-(3,3-dimethylbutyl)-2,3-dihydropyran-6-one;ethane
CID 142068689
(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
CID 53355124
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234
(10Z,23E)-13,26-dihexyl-1,14-dioxacyclohexacosa-10,23-diene-2,15-dione
CID 177457113
(4Z)-2-butyl-2,3,6,7-tetrahydrooxocin-8-one
CID 101251171
4-dodecyloxetan-2-one
CID 90110174
(2R)-2-[(E,2R)-2,12-dihydroxynonadec-3-enyl]-2,3-dihydropyran-6-one
CID 122178737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one (CID 91936907) is (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one is CCCCC[C@@H]1CC=CC(=O)O1.CCCCC[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one?
The InChIKey is AAPBWRMANRUSHL-IGXPJQGBSA-N. The full InChI is InChI=1S/2C10H16O2/c2*1-2-3-4-6-9-7-5-8-10(11)12-9/h2*5,8-9H,2-4,6-7H2,1H3/t2*9-/m10/s1.
What are the key properties of (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one?
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one has a molecular weight of 336.47 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 91936907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).