3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid

C12H16O8 — CID 170162415

IUPAC3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
SMILESC=CC(=O)OCCC(=O)OC(C)C(=O)OCCC(=O)O
InChIInChI=1S/C12H16O8/c1-3-10(15)18-7-5-11(16)20-8(2)12(17)19-6-4-9(13)14/h3,8H,1,4-7H2,2H3,(H,13,14)
InChIKeyMBSUICZGGPORKJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.06
Rot. Bonds9

About 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid

3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid (PubChem CID 170162415) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
PubChem CID170162415
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Name3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
SMILESC=CC(=O)OCCC(=O)OC(C)C(=O)OCCC(=O)O
InChIInChI=1S/C12H16O8/c1-3-10(15)18-7-5-11(16)20-8(2)12(17)19-6-4-9(13)14/h3,8H,1,4-7H2,2H3,(H,13,14)
InChIKeyMBSUICZGGPORKJ-UHFFFAOYSA-N
XLogP0.06
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
CID 141139958
2-[3-propanoyloxy-3-(3-prop-2-enoyloxypropanoyloxy)propanoyl]oxypropanoic acid
CID 88819588
butyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 159949412
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
2-bromoethyl 2-prop-2-enoyloxypropanoate
CID 121344446
2-methyl-3-oxo-5-prop-2-enoyloxypentanoic acid
CID 141428250
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
(2S)-2-[(2S)-2-[(2S)-2-[3-[(2S)-2-acetyloxypropanoyl]oxypropanoyloxy]propanoyl]oxypropanoyl]oxypropanoic acid
CID 135353579
bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid?
The IUPAC name of 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid (CID 170162415) is 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid.
What is the SMILES notation for 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid?
The canonical SMILES for 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid is C=CC(=O)OCCC(=O)OC(C)C(=O)OCCC(=O)O.
What is the InChIKey of 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid?
The InChIKey is MBSUICZGGPORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8/c1-3-10(15)18-7-5-11(16)20-8(2)12(17)19-6-4-9(13)14/h3,8H,1,4-7H2,2H3,(H,13,14).
What are the key properties of 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid?
3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid has a molecular weight of 288.25 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid is sourced from PubChem (CID 170162415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).