2,3-dihydroxypropyl 2-methylprop-2-enoate;propane

C10H20O4 — CID 87556862

IUPAC2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
SMILESC=C(C)C(=O)OCC(O)CO.CCC
InChIInChI=1S/C7H12O4.C3H8/c1-5(2)7(10)11-4-6(9)3-8;1-3-2/h6,8-9H,1,3-4H2,2H3;3H2,1-2H3
InChIKeyZZZJHGFTUYJQRV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.88
Rot. Bonds4

About 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane

2,3-dihydroxypropyl 2-methylprop-2-enoate;propane (PubChem CID 87556862) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
PubChem CID87556862
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
SMILESC=C(C)C(=O)OCC(O)CO.CCC
InChIInChI=1S/C7H12O4.C3H8/c1-5(2)7(10)11-4-6(9)3-8;1-3-2/h6,8-9H,1,3-4H2,2H3;3H2,1-2H3
InChIKeyZZZJHGFTUYJQRV-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.88
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

2,3-dihydroxypropyl 2-methylprop-2-enoate;2-hydroxyoctadecanoic acid
CID 53470723
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
2,3-dihydroxypropyl 2-methylprop-2-enoate;phenylboronic acid
CID 174989633
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
[2-(2,3-dihydroxypropoxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 87773582
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane?
The IUPAC name of 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane (CID 87556862) is 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane.
What is the SMILES notation for 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane?
The canonical SMILES for 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane is C=C(C)C(=O)OCC(O)CO.CCC.
What is the InChIKey of 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane?
The InChIKey is ZZZJHGFTUYJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C3H8/c1-5(2)7(10)11-4-6(9)3-8;1-3-2/h6,8-9H,1,3-4H2,2H3;3H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane?
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane has a molecular weight of 204.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-methylprop-2-enoate;propane is sourced from PubChem (CID 87556862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).