[(2S)-1-propanoyloxypropan-2-yl] decanoate

C16H30O4 — CID 138105947

IUPAC[(2S)-1-propanoyloxypropan-2-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H](C)COC(=O)CC
InChIInChI=1S/C16H30O4/c1-4-6-7-8-9-10-11-12-16(18)20-14(3)13-19-15(17)5-2/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyHLHCZEIXUYWVPZ-AWEZNQCLSA-N
MW286.41 g/mol
LogP4.01
Rot. Bonds12

About [(2S)-1-propanoyloxypropan-2-yl] decanoate

[(2S)-1-propanoyloxypropan-2-yl] decanoate (PubChem CID 138105947) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is [(2S)-1-propanoyloxypropan-2-yl] decanoate.

Molecular Properties

Compound Name[(2S)-1-propanoyloxypropan-2-yl] decanoate
PubChem CID138105947
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name[(2S)-1-propanoyloxypropan-2-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@@H](C)COC(=O)CC
InChIInChI=1S/C16H30O4/c1-4-6-7-8-9-10-11-12-16(18)20-14(3)13-19-15(17)5-2/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyHLHCZEIXUYWVPZ-AWEZNQCLSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
[(2S)-2-butanoyloxypropyl] hexadecanoate
CID 138105943
2-dodecanoyloxypropyl dodecanoate;ethane-1,2-diol
CID 87063295
6-(1-dodecanoyloxypropan-2-yloxy)-6-oxohexanoic acid
CID 53316391
butane-1,4-diol;2-octanoyloxypropyl octanoate
CID 160752917
1-acetyloxypropan-2-yl decanoate
CID 150997925
propane-1,2-diol;1-tetradecanoyloxypropan-2-yl hexadecanoate
CID 87586362
1,3-di(propanoyloxy)propan-2-yl tetradecanoate
CID 87248949

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propanoyloxypropan-2-yl] decanoate?
The IUPAC name of [(2S)-1-propanoyloxypropan-2-yl] decanoate (CID 138105947) is [(2S)-1-propanoyloxypropan-2-yl] decanoate.
What is the SMILES notation for [(2S)-1-propanoyloxypropan-2-yl] decanoate?
The canonical SMILES for [(2S)-1-propanoyloxypropan-2-yl] decanoate is CCCCCCCCCC(=O)O[C@@H](C)COC(=O)CC.
What is the InChIKey of [(2S)-1-propanoyloxypropan-2-yl] decanoate?
The InChIKey is HLHCZEIXUYWVPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30O4/c1-4-6-7-8-9-10-11-12-16(18)20-14(3)13-19-15(17)5-2/h14H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of [(2S)-1-propanoyloxypropan-2-yl] decanoate?
[(2S)-1-propanoyloxypropan-2-yl] decanoate has a molecular weight of 286.41 g/mol, XLogP of 4.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propanoyloxypropan-2-yl] decanoate is sourced from PubChem (CID 138105947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).