5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid

C10H16O5 — CID 157146247

IUPAC5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=CCC(C)O)C(=O)O
InChIInChI=1S/C7H12O3.C3H4O2/c1-5(7(9)10)3-4-6(2)8;1-2-3(4)5/h3,6,8H,4H2,1-2H3,(H,9,10);2H,1H2,(H,4,5)
InChIKeyAKSRWXLVYWSAOS-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.05
Rot. Bonds4

About 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid

5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid (PubChem CID 157146247) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
PubChem CID157146247
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=CCC(C)O)C(=O)O
InChIInChI=1S/C7H12O3.C3H4O2/c1-5(7(9)10)3-4-6(2)8;1-2-3(4)5/h3,6,8H,4H2,1-2H3,(H,9,10);2H,1H2,(H,4,5)
InChIKeyAKSRWXLVYWSAOS-UHFFFAOYSA-N
XLogP1.05
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid?
The IUPAC name of 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid (CID 157146247) is 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid is C=CC(=O)O.CC(=CCC(C)O)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid?
The InChIKey is AKSRWXLVYWSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H4O2/c1-5(7(9)10)3-4-6(2)8;1-2-3(4)5/h3,6,8H,4H2,1-2H3,(H,9,10);2H,1H2,(H,4,5).
What are the key properties of 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid?
5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid has a molecular weight of 216.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 157146247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).