[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate

C9H16O5 — CID 88729581

IUPAC[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCO)C(C)O
InChIInChI=1S/C9H16O5/c1-6(2)8(12)14-9(7(3)11)13-5-4-10/h7,9-11H,1,4-5H2,2-3H3
InChIKeyQHIVVJLPPPZZRW-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.18
Rot. Bonds6

About [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate

[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate (PubChem CID 88729581) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
PubChem CID88729581
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCO)C(C)O
InChIInChI=1S/C9H16O5/c1-6(2)8(12)14-9(7(3)11)13-5-4-10/h7,9-11H,1,4-5H2,2-3H3
InChIKeyQHIVVJLPPPZZRW-UHFFFAOYSA-N
XLogP-0.18
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate 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

1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
1-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 141487666
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
propan-2-yl 2-methylprop-2-enoate
CID 146421311
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate
CID 19097610
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1,2,4-trihydroxybutyl 2-methylprop-2-enoate
CID 22605120
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate (CID 88729581) is [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OCCO)C(C)O.
What is the InChIKey of [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate?
The InChIKey is QHIVVJLPPPZZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-6(2)8(12)14-9(7(3)11)13-5-4-10/h7,9-11H,1,4-5H2,2-3H3.
What are the key properties of [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate?
[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate has a molecular weight of 204.22 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88729581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).