propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid

C15H26O10 — CID 173025781

IUPACpropane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
SMILESC=C(OCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCC(O)CO
InChIInChI=1S/C6H10O3.C3H8O3.2C3H4O2/c1-3-4-9-5(2)6(7)8;4-1-3(6)2-5;2*1-2-3(4)5/h2-4H2,1H3,(H,7,8);3-6H,1-2H2;2*2H,1H2,(H,4,5)
InChIKeyJUUZCAMDNZSZLQ-UHFFFAOYSA-N
MW366.36 g/mol
LogP-0.14
Rot. Bonds8

About propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid

propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid (PubChem CID 173025781) has the molecular formula C15H26O10 and a molecular weight of 366.36 g/mol. Its IUPAC name is propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid.

Molecular Properties

Compound Namepropane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
PubChem CID173025781
Molecular FormulaC15H26O10
Molecular Weight366.36 g/mol
Exact Mass366.15
IUPAC Namepropane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
SMILESC=C(OCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCC(O)CO
InChIInChI=1S/C6H10O3.C3H8O3.2C3H4O2/c1-3-4-9-5(2)6(7)8;4-1-3(6)2-5;2*1-2-3(4)5/h2-4H2,1H3,(H,7,8);3-6H,1-2H2;2*2H,1H2,(H,4,5)
InChIKeyJUUZCAMDNZSZLQ-UHFFFAOYSA-N
XLogP-0.14
TPSA181.82 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 87571569
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CID 158521080
ethanol;prop-2-enoic acid
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CID 174768003

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid?
The IUPAC name of propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid (CID 173025781) is propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid.
What is the SMILES notation for propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid?
The canonical SMILES for propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid is C=C(OCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid?
The InChIKey is JUUZCAMDNZSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8O3.2C3H4O2/c1-3-4-9-5(2)6(7)8;4-1-3(6)2-5;2*1-2-3(4)5/h2-4H2,1H3,(H,7,8);3-6H,1-2H2;2*2H,1H2,(H,4,5).
What are the key properties of propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid?
propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid has a molecular weight of 366.36 g/mol, XLogP of -0.14, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid is sourced from PubChem (CID 173025781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).