2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate

C10H16O5 — CID 142723454

IUPAC2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC
InChIInChI=1S/C10H16O5/c1-4-5-10(14,6-11)9(13)15-8(12)7(2)3/h11,14H,2,4-6H2,1,3H3
InChIKeyZNPGVUJIJZLXNT-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.16
Rot. Bonds5

About 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate

2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate (PubChem CID 142723454) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate
PubChem CID142723454
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC
InChIInChI=1S/C10H16O5/c1-4-5-10(14,6-11)9(13)15-8(12)7(2)3/h11,14H,2,4-6H2,1,3H3
InChIKeyZNPGVUJIJZLXNT-UHFFFAOYSA-N
XLogP0.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
CID 54099461
(4-Tert-butylperoxy-2-hydroxy-4-methylpentyl) 2-methylprop-2-enoate
CID 54495380
[4-Methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate
CID 88566368
[2-Hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethylpentanoate
CID 89759342
Tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate
CID 118501651
Ethyl 3-(ethoxymethyl)-3-hydroxy-4-(2-methylprop-2-enoyloxy)butanoate
CID 118579612
Tert-butyl 3-(ethoxymethyl)-3-hydroxy-4-(2-methylprop-2-enoyloxy)butanoate
CID 118579615
1-O-ethyl 3-O-[4-(2-hydroxyprop-2-enoyloxy)-2-methylpentan-2-yl] 2-methylidenepropanedioate
CID 137466270
2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
CID 139715012
2-Methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
CID 139750816
2-(2-Methylprop-2-enoyloxy)-2-(oxiran-2-ylmethoxycarbonyl)hexanoic acid
CID 140176859
2-(2-Methylprop-2-enoyloxy)-2-(oxiran-2-ylmethoxycarbonyl)pentanoic acid
CID 140176917

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate (CID 142723454) is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate is C=C(C)C(=O)OC(=O)C(O)(CO)CCC.
What is the InChIKey of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The InChIKey is ZNPGVUJIJZLXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-5-10(14,6-11)9(13)15-8(12)7(2)3/h11,14H,2,4-6H2,1,3H3.
What are the key properties of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate has a molecular weight of 216.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate is sourced from PubChem (CID 142723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).