4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid

C11H18O6 — CID 173155941

IUPAC4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=CC(O)CCO)C(=O)O
InChIInChI=1S/C7H12O4.C4H6O2/c1-5(7(10)11)4-6(9)2-3-8;1-3(2)4(5)6/h4,6,8-9H,2-3H2,1H3,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyKKKAPCDBCUOHOW-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.41
Rot. Bonds5

About 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid

4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid (PubChem CID 173155941) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
PubChem CID173155941
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=CC(O)CCO)C(=O)O
InChIInChI=1S/C7H12O4.C4H6O2/c1-5(7(10)11)4-6(9)2-3-8;1-3(2)4(5)6/h4,6,8-9H,2-3H2,1H3,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyKKKAPCDBCUOHOW-UHFFFAOYSA-N
XLogP0.41
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856
4,17-dihydroxy-2-methylheptadec-2-enoic acid
CID 57306862
4,14-dihydroxy-2-methyltetradec-2-enoic acid
CID 155224874
4,12-dihydroxy-2-methyldodec-2-enoic acid
CID 90823727
4-hydroxy-2-methylhex-2-enedioic acid
CID 154259109
acetic acid;2-(hydroxymethyl)butane-1,4-diol;2-methylprop-2-enoic acid
CID 173453943
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid (CID 173155941) is 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(=CC(O)CCO)C(=O)O.
What is the InChIKey of 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid?
The InChIKey is KKKAPCDBCUOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C4H6O2/c1-5(7(10)11)4-6(9)2-3-8;1-3(2)4(5)6/h4,6,8-9H,2-3H2,1H3,(H,10,11);1H2,2H3,(H,5,6).
What are the key properties of 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid?
4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 173155941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).