2-hydroxybutyl prop-2-enoate;2-methyloxirane

C10H18O4 — CID 141341823

IUPAC2-hydroxybutyl prop-2-enoate;2-methyloxirane
SMILESC=CC(=O)OCC(O)CC.CC1CO1
InChIInChI=1S/C7H12O3.C3H6O/c1-3-6(8)5-10-7(9)4-2;1-3-2-4-3/h4,6,8H,2-3,5H2,1H3;3H,2H2,1H3
InChIKeyJRGIEUXMJNHZAS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds4

About 2-hydroxybutyl prop-2-enoate;2-methyloxirane

2-hydroxybutyl prop-2-enoate;2-methyloxirane (PubChem CID 141341823) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-hydroxybutyl prop-2-enoate;2-methyloxirane.

Molecular Properties

Compound Name2-hydroxybutyl prop-2-enoate;2-methyloxirane
PubChem CID141341823
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-hydroxybutyl prop-2-enoate;2-methyloxirane
SMILESC=CC(=O)OCC(O)CC.CC1CO1
InChIInChI=1S/C7H12O3.C3H6O/c1-3-6(8)5-10-7(9)4-2;1-3-2-4-3/h4,6,8H,2-3,5H2,1H3;3H,2H2,1H3
InChIKeyJRGIEUXMJNHZAS-UHFFFAOYSA-N
XLogP0.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-hydroxybutyl prop-2-enoate;2-methyloxirane 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

[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
[2-hydroxy-3-(oxiran-2-ylmethoxyperoxy)propyl] prop-2-enoate
CID 155005132
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979
[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] prop-2-enoate
CID 22604997
2-hydroxybutyl 4-oxo-4-prop-2-enoylperoxybutanoate
CID 175863473
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)hexoxy]propyl] prop-2-enoate
CID 154601558

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl prop-2-enoate;2-methyloxirane?
The IUPAC name of 2-hydroxybutyl prop-2-enoate;2-methyloxirane (CID 141341823) is 2-hydroxybutyl prop-2-enoate;2-methyloxirane.
What is the SMILES notation for 2-hydroxybutyl prop-2-enoate;2-methyloxirane?
The canonical SMILES for 2-hydroxybutyl prop-2-enoate;2-methyloxirane is C=CC(=O)OCC(O)CC.CC1CO1.
What is the InChIKey of 2-hydroxybutyl prop-2-enoate;2-methyloxirane?
The InChIKey is JRGIEUXMJNHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C3H6O/c1-3-6(8)5-10-7(9)4-2;1-3-2-4-3/h4,6,8H,2-3,5H2,1H3;3H,2H2,1H3.
What are the key properties of 2-hydroxybutyl prop-2-enoate;2-methyloxirane?
2-hydroxybutyl prop-2-enoate;2-methyloxirane has a molecular weight of 202.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl prop-2-enoate;2-methyloxirane is sourced from PubChem (CID 141341823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).