methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate

C11H20O5 — CID 139745290

IUPACmethyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate
SMILESC=C(COCC(C)OCC(C)O)C(=O)OC
InChIInChI=1S/C11H20O5/c1-8(11(13)14-4)5-15-7-10(3)16-6-9(2)12/h9-10,12H,1,5-7H2,2-4H3
InChIKeyVKBBRQAHQPUXCR-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.52
Rot. Bonds8

About methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate

methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate (PubChem CID 139745290) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate
PubChem CID139745290
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate
SMILESC=C(COCC(C)OCC(C)O)C(=O)OC
InChIInChI=1S/C11H20O5/c1-8(11(13)14-4)5-15-7-10(3)16-6-9(2)12/h9-10,12H,1,5-7H2,2-4H3
InChIKeyVKBBRQAHQPUXCR-UHFFFAOYSA-N
XLogP0.52
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.52
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

ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
CID 139854890
methyl 5-hydroxy-2-methylidenehexanoate
CID 57168869
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
CID 162118566
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22023985
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid
CID 59930566

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate?
The IUPAC name of methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate (CID 139745290) is methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate?
The canonical SMILES for methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate is C=C(COCC(C)OCC(C)O)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate?
The InChIKey is VKBBRQAHQPUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-8(11(13)14-4)5-15-7-10(3)16-6-9(2)12/h9-10,12H,1,5-7H2,2-4H3.
What are the key properties of methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate?
methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate is sourced from PubChem (CID 139745290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).