(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate

C10H16O5 — CID 20746567

IUPAC(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CC
InChIInChI=1S/C10H16O5/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3/h8,11H,2,4-6H2,1,3H3
InChIKeyLUUIUSRHDNYICK-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.42
Rot. Bonds6

About (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate

(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate (PubChem CID 20746567) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
PubChem CID20746567
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)CC
InChIInChI=1S/C10H16O5/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3/h8,11H,2,4-6H2,1,3H3
InChIKeyLUUIUSRHDNYICK-UHFFFAOYSA-N
XLogP0.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
1-O-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] butanedioate
CID 170691807
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
(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
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-amino-2-methylbutanoate
CID 146532690
(3-diethoxyphosphoryloxy-2-hydroxypropyl) 2-methylprop-2-enoate
CID 101236796

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate (CID 20746567) is (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)CC.
What is the InChIKey of (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate?
The InChIKey is LUUIUSRHDNYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3/h8,11H,2,4-6H2,1,3H3.
What are the key properties of (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate?
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 20746567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).