[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate

C17H32O8 — CID 160776856

IUPAC[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate
SMILESCCC(=O)OCC(O)COCCCCCOCC(O)COC(=O)CC
InChIInChI=1S/C17H32O8/c1-3-16(20)24-12-14(18)10-22-8-6-5-7-9-23-11-15(19)13-25-17(21)4-2/h14-15,18-19H,3-13H2,1-2H3
InChIKeySABBAVUDPQILLD-UHFFFAOYSA-N
MW364.44 g/mol
LogP0.82
Rot. Bonds16

About [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate

[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate (PubChem CID 160776856) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate
PubChem CID160776856
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate
SMILESCCC(=O)OCC(O)COCCCCCOCC(O)COC(=O)CC
InChIInChI=1S/C17H32O8/c1-3-16(20)24-12-14(18)10-22-8-6-5-7-9-23-11-15(19)13-25-17(21)4-2/h14-15,18-19H,3-13H2,1-2H3
InChIKeySABBAVUDPQILLD-UHFFFAOYSA-N
XLogP0.82
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] propanoate
CID 123812223
(3-butoxy-2-hydroxypropyl) 2-hydroxyacetate
CID 121335486
1-butoxybutane;2-hydroxypropyl propanoate
CID 87504806
[2-hydroxy-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] octadecanoate
CID 172946289
14-propanoyloxytetradecyl propanoate
CID 100931915
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
CID 91017157
[(2S)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] acetate
CID 100993554
[3-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)butoxy]-2-hydroxypropyl] but-2-enoate
CID 57242154
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 139598232
2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 139598041

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate?
The IUPAC name of [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate (CID 160776856) is [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate.
What is the SMILES notation for [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate?
The canonical SMILES for [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate is CCC(=O)OCC(O)COCCCCCOCC(O)COC(=O)CC.
What is the InChIKey of [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate?
The InChIKey is SABBAVUDPQILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8/c1-3-16(20)24-12-14(18)10-22-8-6-5-7-9-23-11-15(19)13-25-17(21)4-2/h14-15,18-19H,3-13H2,1-2H3.
What are the key properties of [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate?
[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate has a molecular weight of 364.44 g/mol, XLogP of 0.82, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate is sourced from PubChem (CID 160776856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).