[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate

C17H26O7 — CID 91368416

IUPAC[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O
InChIInChI=1S/C17H26O7/c1-2-3-4-5-6-7-8-9-10-13(19)23-11-12(18)16-14(20)15(21)17(22)24-16/h2,12,15-16,18,21H,1,3-11H2
InChIKeyVHALGNJQLPMGHS-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.05
Rot. Bonds12

About [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate

[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate (PubChem CID 91368416) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate
PubChem CID91368416
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Name[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O
InChIInChI=1S/C17H26O7/c1-2-3-4-5-6-7-8-9-10-13(19)23-11-12(18)16-14(20)15(21)17(22)24-16/h2,12,15-16,18,21H,1,3-11H2
InChIKeyVHALGNJQLPMGHS-UHFFFAOYSA-N
XLogP1.05
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl Glucose Dioleate
CID 87976207
Sorbitan, mono-10-undecenoate
CID 44150086
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] octadecanoate
CID 53733092
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] octanoate
CID 53820915
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] dodecanoate
CID 53940018
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] octadeca-9,12-dienoate
CID 54046755
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] octadec-9-enoate
CID 54122847
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] octadeca-9,12-dienoate
CID 54194748
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] tetradecanoate
CID 54196613
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] hexadecanoate
CID 54481357
[(2R,3R,4S,5R)-1,2,3-trihydroxy-5-octadec-9-enoyloxy-6-oxoheptan-4-yl] octadec-9-enoate
CID 54527335
[(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] octadec-9-enoate
CID 57198680

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate?
The IUPAC name of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate (CID 91368416) is [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate.
What is the SMILES notation for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate?
The canonical SMILES for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate is C=CCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O.
What is the InChIKey of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate?
The InChIKey is VHALGNJQLPMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O7/c1-2-3-4-5-6-7-8-9-10-13(19)23-11-12(18)16-14(20)15(21)17(22)24-16/h2,12,15-16,18,21H,1,3-11H2.
What are the key properties of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate?
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate has a molecular weight of 342.39 g/mol, XLogP of 1.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] undec-10-enoate is sourced from PubChem (CID 91368416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).