(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one

C11H18O2 — CID 129405234

IUPAC(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC(C)=CC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-10-7-9(2)8-11(12)13-10/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyFHSZWEMOISLHLF-SNVBAGLBSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one

(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one (PubChem CID 129405234) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
PubChem CID129405234
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
SMILESCCCCC[C@@H]1CC(C)=CC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-10-7-9(2)8-11(12)13-10/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyFHSZWEMOISLHLF-SNVBAGLBSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
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

(2S)-6-methyl-2-tridecyl-2,3-dihydropyran-4-one
CID 163108678
4-dodecyloxetan-2-one
CID 90110174
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082
3-methylidene-5-pentyloxolan-2-one
CID 10583238
(5S)-3-methylidene-5-octyloxolan-2-one
CID 13466845
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
4-hexyl-6-methylidene-1,3-dioxan-2-one
CID 89424996
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
5-hexyl-3-(hydroxymethylidene)oxolan-2-one
CID 71385518

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one (CID 129405234) is (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one is CCCCC[C@@H]1CC(C)=CC(=O)O1.
What is the InChIKey of (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one?
The InChIKey is FHSZWEMOISLHLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-10-7-9(2)8-11(12)13-10/h8,10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one?
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 129405234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).