2,3-di(propanoyloxy)propyl decanoate

C19H34O6 — CID 87100214

IUPAC2,3-di(propanoyloxy)propyl decanoate
SMILESCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C19H34O6/c1-4-7-8-9-10-11-12-13-19(22)24-15-16(25-18(21)6-3)14-23-17(20)5-2/h16H,4-15H2,1-3H3
InChIKeyBNXQJOCAMLWRMS-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.95
Rot. Bonds15

About 2,3-di(propanoyloxy)propyl decanoate

2,3-di(propanoyloxy)propyl decanoate (PubChem CID 87100214) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2,3-di(propanoyloxy)propyl decanoate.

Molecular Properties

Compound Name2,3-di(propanoyloxy)propyl decanoate
PubChem CID87100214
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2,3-di(propanoyloxy)propyl decanoate
SMILESCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C19H34O6/c1-4-7-8-9-10-11-12-13-19(22)24-15-16(25-18(21)6-3)14-23-17(20)5-2/h16H,4-15H2,1-3H3
InChIKeyBNXQJOCAMLWRMS-UHFFFAOYSA-N
XLogP3.95
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-di(propanoyloxy)propan-2-yl decanoate
CID 87100213
1,3-di(propanoyloxy)propan-2-yl tetradecanoate
CID 87248949
[(2R)-2-decanoyloxy-3-octadecanoyloxypropyl] henicosanoate
CID 131772227
[(2S)-2-dodecanoyloxy-3-octadecanoyloxypropyl] icosanoate
CID 131816121
[(2S)-2-dodecanoyloxy-3-tridecanoyloxypropyl] pentadecanoate
CID 131804978
[(2S)-1-hexadecanoyloxy-3-nonadecanoyloxypropan-2-yl] henicosanoate
CID 131813040
[(2S)-1-decanoyloxy-3-tetradecanoyloxypropan-2-yl] heptadecanoate
CID 131778995
2,3-di(octanoyloxy)propyl octanoate
CID 87154067
(3-decanoyloxy-2-octadecanoyloxypropyl) octadecanoate
CID 156589044
[(2S)-2-heptadecanoyloxy-3-octadecanoyloxypropyl] icosanoate
CID 131816855
[(2S)-2-dodecanoyloxy-3-octanoyloxypropyl] pentadecanoate
CID 131778992
[(2R)-1-heptadecanoyloxy-3-tridecanoyloxypropan-2-yl] docosanoate
CID 131815608

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propanoyloxy)propyl decanoate?
The IUPAC name of 2,3-di(propanoyloxy)propyl decanoate (CID 87100214) is 2,3-di(propanoyloxy)propyl decanoate.
What is the SMILES notation for 2,3-di(propanoyloxy)propyl decanoate?
The canonical SMILES for 2,3-di(propanoyloxy)propyl decanoate is CCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC.
What is the InChIKey of 2,3-di(propanoyloxy)propyl decanoate?
The InChIKey is BNXQJOCAMLWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6/c1-4-7-8-9-10-11-12-13-19(22)24-15-16(25-18(21)6-3)14-23-17(20)5-2/h16H,4-15H2,1-3H3.
What are the key properties of 2,3-di(propanoyloxy)propyl decanoate?
2,3-di(propanoyloxy)propyl decanoate has a molecular weight of 358.48 g/mol, XLogP of 3.95, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propanoyloxy)propyl decanoate is sourced from PubChem (CID 87100214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).