(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate

C10H16O4 — CID 54466719

IUPAC(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C(C)C)C(O)CO
InChIInChI=1S/C10H16O4/c1-6(2)9(8(12)5-11)14-10(13)7(3)4/h8,11-12H,3,5H2,1-2,4H3
InChIKeyXFKFBBVGUXNVOU-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.75
Rot. Bonds4

About (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate

(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate (PubChem CID 54466719) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate
PubChem CID54466719
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=C(C)C)C(O)CO
InChIInChI=1S/C10H16O4/c1-6(2)9(8(12)5-11)14-10(13)7(3)4/h8,11-12H,3,5H2,1-2,4H3
InChIKeyXFKFBBVGUXNVOU-UHFFFAOYSA-N
XLogP0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate (CID 54466719) is (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(=C(C)C)C(O)CO.
What is the InChIKey of (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate?
The InChIKey is XFKFBBVGUXNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)9(8(12)5-11)14-10(13)7(3)4/h8,11-12H,3,5H2,1-2,4H3.
What are the key properties of (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate?
(4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-2-methylpent-2-en-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 54466719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).