3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol

C9H12O2 — CID 142358246

IUPAC3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
SMILESC=C(C)C=C(C(=C)O)C(=C)O
InChIInChI=1S/C9H12O2/c1-6(2)5-9(7(3)10)8(4)11/h5,10-11H,1,3-4H2,2H3
InChIKeyVRJMNWJCFKDZEC-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.63
Rot. Bonds3

About 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol

3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol (PubChem CID 142358246) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol.

Molecular Properties

Compound Name3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
PubChem CID142358246
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
SMILESC=C(C)C=C(C(=C)O)C(=C)O
InChIInChI=1S/C9H12O2/c1-6(2)5-9(7(3)10)8(4)11/h5,10-11H,1,3-4H2,2H3
InChIKeyVRJMNWJCFKDZEC-UHFFFAOYSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol?
The IUPAC name of 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol (CID 142358246) is 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol.
What is the SMILES notation for 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol?
The canonical SMILES for 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol is C=C(C)C=C(C(=C)O)C(=C)O.
What is the InChIKey of 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol?
The InChIKey is VRJMNWJCFKDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(2)5-9(7(3)10)8(4)11/h5,10-11H,1,3-4H2,2H3.
What are the key properties of 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol?
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol has a molecular weight of 152.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol is sourced from PubChem (CID 142358246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).