[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate

C18H36O5 — CID 59520994

IUPAC[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@H](CO)COCO
InChIInChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-17(14-19)15-22-16-20/h17,19-20H,2-16H2,1H3/t17-/m1/s1
InChIKeyDQABDPZHDVHLTQ-QGZVFWFLSA-N
MW332.48 g/mol
LogP3.56
Rot. Bonds17

About [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate

[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate (PubChem CID 59520994) has the molecular formula C18H36O5 and a molecular weight of 332.48 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
PubChem CID59520994
Molecular FormulaC18H36O5
Molecular Weight332.48 g/mol
Exact Mass332.26
IUPAC Name[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@H](CO)COCO
InChIInChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-17(14-19)15-22-16-20/h17,19-20H,2-16H2,1H3/t17-/m1/s1
InChIKeyDQABDPZHDVHLTQ-QGZVFWFLSA-N
XLogP3.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968
(1-dodecoxy-3-hydroxypropan-2-yl) tetradecanoate
CID 10367472
(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
CID 86209450
(1-dodecoxy-3-hydroxypropan-2-yl) dodecanoate
CID 11102286
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
CID 53478055
(1-hydroxy-3-octanoyloxypropan-2-yl) hexadecanoate
CID 54561107
[(2R)-2-hexanoyloxy-3-hydroxypropyl] hexadecanoate
CID 102241537
(1-heptanoyloxy-3-hydroxypropan-2-yl) octadecanoate
CID 138123365
(1-heptanoyloxy-3-hydroxypropan-2-yl) icosanoate
CID 138314263
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tricosanoate
CID 134782423
[(2S)-1-heptanoyloxy-3-hydroxypropan-2-yl] undecanoate
CID 154815628

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate?
The IUPAC name of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate (CID 59520994) is [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate.
What is the SMILES notation for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate?
The canonical SMILES for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[C@H](CO)COCO.
What is the InChIKey of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate?
The InChIKey is DQABDPZHDVHLTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-17(14-19)15-22-16-20/h17,19-20H,2-16H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate?
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate has a molecular weight of 332.48 g/mol, XLogP of 3.56, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate is sourced from PubChem (CID 59520994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).