[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate

C16H28O6 — CID 58519858

IUPAC[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)COC(=O)CO
InChIInChI=1S/C16H28O6/c1-2-3-4-5-6-7-8-9-10-15(19)21-12-14(18)13-22-16(20)11-17/h2,14,17-18H,1,3-13H2
InChIKeyLUGHISHAEWAGLB-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.73
Rot. Bonds14

About [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate

[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate (PubChem CID 58519858) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
PubChem CID58519858
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Name[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)COC(=O)CO
InChIInChI=1S/C16H28O6/c1-2-3-4-5-6-7-8-9-10-15(19)21-12-14(18)13-22-16(20)11-17/h2,14,17-18H,1,3-13H2
InChIKeyLUGHISHAEWAGLB-UHFFFAOYSA-N
XLogP1.73
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dihydroxypropyl] dec-9-enoate
CID 53301863
2-hydroxybutyl 10-hydroxyhexadec-15-enoate
CID 157441830
(3-hydroxy-2-undec-10-enoyloxypropyl) undec-10-enoate
CID 13365715
[(2S)-2-hydroxy-3-phenylmethoxypropyl] undec-10-enoate
CID 71770260
[6-hydroxy-2-(undec-10-enoyloxymethyl)hexyl] undec-10-enoate
CID 169317599
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
(2-hydroxy-3-undec-9-enoyloxypropyl) undec-9-enoate
CID 146171532
2-methylhex-5-enyl undec-10-enoate
CID 11150207
2-hydroxyethyl dec-9-enoate
CID 87084822
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] (Z)-docos-13-enoate
CID 131801742
[(2S)-3-hexadecanoyloxy-2-hydroxypropyl] (E)-octadec-9-enoate
CID 124524475

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate?
The IUPAC name of [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate (CID 58519858) is [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate.
What is the SMILES notation for [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate?
The canonical SMILES for [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate is C=CCCCCCCCCC(=O)OCC(O)COC(=O)CO.
What is the InChIKey of [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate?
The InChIKey is LUGHISHAEWAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6/c1-2-3-4-5-6-7-8-9-10-15(19)21-12-14(18)13-22-16(20)11-17/h2,14,17-18H,1,3-13H2.
What are the key properties of [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate?
[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate has a molecular weight of 316.39 g/mol, XLogP of 1.73, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate is sourced from PubChem (CID 58519858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).