(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one

C19H34O4 — CID 11099459

IUPAC(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CCC(=O)O2)O1
InChIInChI=1S/C19H34O4/c1-2-3-4-5-6-7-8-9-10-15(20)16-11-12-17(22-16)18-13-14-19(21)23-18/h15-18,20H,2-14H2,1H3/t15-,16-,17-,18-/m1/s1
InChIKeyZAWFKMSJAYLCBI-BRSBDYLESA-N
MW326.48 g/mol
LogP4.13
Rot. Bonds11

About (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one

(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one (PubChem CID 11099459) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
PubChem CID11099459
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CCC(=O)O2)O1
InChIInChI=1S/C19H34O4/c1-2-3-4-5-6-7-8-9-10-15(20)16-11-12-17(22-16)18-13-14-19(21)23-18/h15-18,20H,2-14H2,1H3/t15-,16-,17-,18-/m1/s1
InChIKeyZAWFKMSJAYLCBI-BRSBDYLESA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one with MolForge

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Related Compounds

(5R)-5-[(2S,5S)-5-[(1R)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypropyl]oxolan-2-yl]oxolan-2-one
CID 10671431
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
[(1S,4R,5R)-4,5-dihydroxy-1-[(2R,5R)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-yl]pentadecyl] methanesulfonate
CID 11420494
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
CID 10849816
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446
(2R)-4-[(1R,13R)-1,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 162993005
(2R)-4-[(1R,13R)-1,13-dihydroxy-13-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 163187228
(2S)-4-[(10R)-10-hydroxy-10-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]decyl]-2-methyl-2H-furan-5-one
CID 171120673
(2S)-4-[(13R)-13-hydroxy-13-[(2S,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 154496465

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one (CID 11099459) is (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one is CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CCC(=O)O2)O1.
What is the InChIKey of (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one?
The InChIKey is ZAWFKMSJAYLCBI-BRSBDYLESA-N. The full InChI is InChI=1S/C19H34O4/c1-2-3-4-5-6-7-8-9-10-15(20)16-11-12-17(22-16)18-13-14-19(21)23-18/h15-18,20H,2-14H2,1H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one?
(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one has a molecular weight of 326.48 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 11099459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).