(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one

C20H36O3 — CID 122178733

IUPAC(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCC[C@@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)17-19-15-13-16-20(22)23-19/h13,16,18-19,21H,2-12,14-15,17H2,1H3/t18-,19-/m1/s1
InChIKeyINDKJCLBJSOHKB-RTBURBONSA-N
MW324.50 g/mol
LogP5.31
Rot. Bonds14

About (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one

(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one (PubChem CID 122178733) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one
PubChem CID122178733
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Name(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCC[C@@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)17-19-15-13-16-20(22)23-19/h13,16,18-19,21H,2-12,14-15,17H2,1H3/t18-,19-/m1/s1
InChIKeyINDKJCLBJSOHKB-RTBURBONSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Massoia lactone
CID 39914
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
Pironetin
CID 6438891
13,17-epoxy-16-hydroxy macrolactin A
CID 56649386
Macrolactin A
CID 10949443
Caprylyl Eicosenoate
CID 76962468
18,19-epoxy macrolactin A
CID 56649368
Ncgc00385962-01_C16H24O3_
CID 75528938
Cryptocaryol B
CID 54582082
Cryptocaryol E
CID 54585961
Cryptocaryol A
CID 54586900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one (CID 122178733) is (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one is CCCCCCCCCCCCC[C@@H](O)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one?
The InChIKey is INDKJCLBJSOHKB-RTBURBONSA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)17-19-15-13-16-20(22)23-19/h13,16,18-19,21H,2-12,14-15,17H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one has a molecular weight of 324.50 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-hydroxypentadecyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 122178733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).