6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid

C13H22O5 — CID 173373377

IUPAC6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
SMILESCC(=CCCCO)C(=O)O.CCC=C(C)C(=O)O
InChIInChI=1S/C7H12O3.C6H10O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5(2)6(7)8/h4,8H,2-3,5H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyMUXHQFVAONMSTL-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.22
Rot. Bonds6

About 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid

6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid (PubChem CID 173373377) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid.

Molecular Properties

Compound Name6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
PubChem CID173373377
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
SMILESCC(=CCCCO)C(=O)O.CCC=C(C)C(=O)O
InChIInChI=1S/C7H12O3.C6H10O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5(2)6(7)8/h4,8H,2-3,5H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyMUXHQFVAONMSTL-UHFFFAOYSA-N
XLogP2.22
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
CID 158703292
CID 158703292
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
2-methylhentriacont-2-enoic acid
CID 141160211
methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
CID 173047052
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid?
The IUPAC name of 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid (CID 173373377) is 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid.
What is the SMILES notation for 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid?
The canonical SMILES for 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid is CC(=CCCCO)C(=O)O.CCC=C(C)C(=O)O.
What is the InChIKey of 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid?
The InChIKey is MUXHQFVAONMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H10O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5(2)6(7)8/h4,8H,2-3,5H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,7,8).
What are the key properties of 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid?
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid has a molecular weight of 258.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid is sourced from PubChem (CID 173373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).