2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid

C13H20O6 — CID 87995076

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid
SMILESC=C(C)C(=O)OCCO.C=CCC(O)C(=C)C(=O)O
InChIInChI=1S/C7H10O3.C6H10O3/c1-3-4-6(8)5(2)7(9)10;1-5(2)6(8)9-4-3-7/h3,6,8H,1-2,4H2,(H,9,10);7H,1,3-4H2,2H3
InChIKeyUXKDQMVMEKXUEP-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.66
Rot. Bonds7

About 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid

2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid (PubChem CID 87995076) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid
PubChem CID87995076
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid
SMILESC=C(C)C(=O)OCCO.C=CCC(O)C(=C)C(=O)O
InChIInChI=1S/C7H10O3.C6H10O3/c1-3-4-6(8)5(2)7(9)10;1-5(2)6(8)9-4-3-7/h3,6,8H,1-2,4H2,(H,9,10);7H,1,3-4H2,2H3
InChIKeyUXKDQMVMEKXUEP-UHFFFAOYSA-N
XLogP0.66
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid (CID 87995076) is 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid is C=C(C)C(=O)OCCO.C=CCC(O)C(=C)C(=O)O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid?
The InChIKey is UXKDQMVMEKXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C6H10O3/c1-3-4-6(8)5(2)7(9)10;1-5(2)6(8)9-4-3-7/h3,6,8H,1-2,4H2,(H,9,10);7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid?
2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;3-hydroxy-2-methylidenehex-5-enoic acid is sourced from PubChem (CID 87995076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).