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

C15H24O7 — CID 173423992

IUPAC5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=CCCO)C(=O)O.CCC=C(C)C(=O)O
InChIInChI=1S/C6H10O3.C6H10O2.C3H4O2/c1-5(6(8)9)3-2-4-7;1-3-4-5(2)6(7)8;1-2-3(4)5/h3,7H,2,4H2,1H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);2H,1H2,(H,4,5)
InChIKeyZPERVYGJMWJRGB-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.08
Rot. Bonds6

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

5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid (PubChem CID 173423992) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
PubChem CID173423992
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(=CCCO)C(=O)O.CCC=C(C)C(=O)O
InChIInChI=1S/C6H10O3.C6H10O2.C3H4O2/c1-5(6(8)9)3-2-4-7;1-3-4-5(2)6(7)8;1-2-3(4)5/h3,7H,2,4H2,1H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);2H,1H2,(H,4,5)
InChIKeyZPERVYGJMWJRGB-UHFFFAOYSA-N
XLogP2.08
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.08
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

6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377
CID 158703292
CID 158703292
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 173421757
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
CID 173207382
methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
CID 173047052
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
ethanol;prop-2-enoic acid
CID 159350313
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
ethyl carbamate;5-hydroxy-2-methylpent-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 175878324

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid?
The IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid (CID 173423992) is 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid is C=CC(=O)O.CC(=CCCO)C(=O)O.CCC=C(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid?
The InChIKey is ZPERVYGJMWJRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H10O2.C3H4O2/c1-5(6(8)9)3-2-4-7;1-3-4-5(2)6(7)8;1-2-3(4)5/h3,7H,2,4H2,1H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);2H,1H2,(H,4,5).
What are the key properties of 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid?
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid has a molecular weight of 316.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 173423992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).