2,3-dihydroxybutyl 2-methylprop-2-enoate

C8H14O4 — CID 22149440

IUPAC2,3-dihydroxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C(C)O
InChIInChI=1S/C8H14O4/c1-5(2)8(11)12-4-7(10)6(3)9/h6-7,9-10H,1,4H2,2-3H3
InChIKeyAXNALHOLESARRI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.15
Rot. Bonds4

About 2,3-dihydroxybutyl 2-methylprop-2-enoate

2,3-dihydroxybutyl 2-methylprop-2-enoate (PubChem CID 22149440) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-dihydroxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxybutyl 2-methylprop-2-enoate
PubChem CID22149440
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,3-dihydroxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C(C)O
InChIInChI=1S/C8H14O4/c1-5(2)8(11)12-4-7(10)6(3)9/h6-7,9-10H,1,4H2,2-3H3
InChIKeyAXNALHOLESARRI-UHFFFAOYSA-N
XLogP-0.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
1,2-dihydroxy-3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
CID 23513163
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] 2-methylprop-2-enoate
CID 87643984
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydroxybutyl 2-methylprop-2-enoate (CID 22149440) is 2,3-dihydroxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydroxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydroxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)C(C)O.
What is the InChIKey of 2,3-dihydroxybutyl 2-methylprop-2-enoate?
The InChIKey is AXNALHOLESARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(2)8(11)12-4-7(10)6(3)9/h6-7,9-10H,1,4H2,2-3H3.
What are the key properties of 2,3-dihydroxybutyl 2-methylprop-2-enoate?
2,3-dihydroxybutyl 2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 22149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).