oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate

C13H20O6 — CID 174491978

IUPACoxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(C)COC(=O)C(=C)C.OCC1CO1
InChIInChI=1S/C10H14O4.C3H6O2/c1-5-9(11)14-8(4)6-13-10(12)7(2)3;4-1-3-2-5-3/h5,8H,1-2,6H2,3-4H3;3-4H,1-2H2
InChIKeyZDKJUERUXZVCPX-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.60
Rot. Bonds6

About oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate

oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate (PubChem CID 174491978) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
PubChem CID174491978
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Nameoxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(C)COC(=O)C(=C)C.OCC1CO1
InChIInChI=1S/C10H14O4.C3H6O2/c1-5-9(11)14-8(4)6-13-10(12)7(2)3;4-1-3-2-5-3/h5,8H,1-2,6H2,3-4H3;3-4H,1-2H2
InChIKeyZDKJUERUXZVCPX-UHFFFAOYSA-N
XLogP0.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-isocyanatopropan-2-yl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174829379
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
CID 131732609
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
1-(diethylamino)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 174820807
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate?
The IUPAC name of oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate (CID 174491978) is oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate is C=CC(=O)OC(C)COC(=O)C(=C)C.OCC1CO1.
What is the InChIKey of oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate?
The InChIKey is ZDKJUERUXZVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C3H6O2/c1-5-9(11)14-8(4)6-13-10(12)7(2)3;4-1-3-2-5-3/h5,8H,1-2,6H2,3-4H3;3-4H,1-2H2.
What are the key properties of oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate?
oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).