2,3-di(propanoyloxy)propyl hex-3-enoate

C15H24O6 — CID 123578202

IUPAC2,3-di(propanoyloxy)propyl hex-3-enoate
SMILESCCC=CCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C15H24O6/c1-4-7-8-9-15(18)20-11-12(21-14(17)6-3)10-19-13(16)5-2/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyOQPMKLKOCZMQNP-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.16
Rot. Bonds10

About 2,3-di(propanoyloxy)propyl hex-3-enoate

2,3-di(propanoyloxy)propyl hex-3-enoate (PubChem CID 123578202) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,3-di(propanoyloxy)propyl hex-3-enoate.

Molecular Properties

Compound Name2,3-di(propanoyloxy)propyl hex-3-enoate
PubChem CID123578202
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2,3-di(propanoyloxy)propyl hex-3-enoate
SMILESCCC=CCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C15H24O6/c1-4-7-8-9-15(18)20-11-12(21-14(17)6-3)10-19-13(16)5-2/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyOQPMKLKOCZMQNP-UHFFFAOYSA-N
XLogP2.16
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;[2-[(3Z,6Z)-nona-3,6-dienoyl]oxy-3-[(3Z,6Z)-octa-3,6-dienoyl]oxypropyl] (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 159752025
(2-hepta-3,5-dienoyloxy-3-propanoyloxypropyl) hepta-3,5-dienoate
CID 59456557
[3-[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxy-2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 138242252
[2-icosanoyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] henicosanoate
CID 165269745
2,3-bis[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy]propyl octadecanoate
CID 165304763
[2-hexacosanoyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] hexacosanoate
CID 165187628
[2-docosanoyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] octacosanoate
CID 165276168
[3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-2-pentacosanoyloxypropyl] hentriacontanoate
CID 165298700
2,3-bis[[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxy]propyl hexadecanoate
CID 138289945
[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-pentadecanoyloxypropyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
CID 165329671
[3-[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxy-2-hexadecanoyloxypropyl] henicosanoate
CID 138293840
(2-heptadecanoyloxy-3-hexadecanoyloxypropyl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
CID 165278831

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propanoyloxy)propyl hex-3-enoate?
The IUPAC name of 2,3-di(propanoyloxy)propyl hex-3-enoate (CID 123578202) is 2,3-di(propanoyloxy)propyl hex-3-enoate.
What is the SMILES notation for 2,3-di(propanoyloxy)propyl hex-3-enoate?
The canonical SMILES for 2,3-di(propanoyloxy)propyl hex-3-enoate is CCC=CCC(=O)OCC(COC(=O)CC)OC(=O)CC.
What is the InChIKey of 2,3-di(propanoyloxy)propyl hex-3-enoate?
The InChIKey is OQPMKLKOCZMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-7-8-9-15(18)20-11-12(21-14(17)6-3)10-19-13(16)5-2/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of 2,3-di(propanoyloxy)propyl hex-3-enoate?
2,3-di(propanoyloxy)propyl hex-3-enoate has a molecular weight of 300.35 g/mol, XLogP of 2.16, 10 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 hex-3-enoate is sourced from PubChem (CID 123578202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).