[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate

C15H26O7 — CID 20659309

IUPAC[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H26O7/c1-10(2)6-20-12(5)22-14(17)9-19-7-13(16)8-21-15(18)11(3)4/h10,12-13,16H,3,6-9H2,1-2,4-5H3
InChIKeyCBPMWDHTHXOEMV-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.04
Rot. Bonds11

About [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate (PubChem CID 20659309) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate
PubChem CID20659309
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H26O7/c1-10(2)6-20-12(5)22-14(17)9-19-7-13(16)8-21-15(18)11(3)4/h10,12-13,16H,3,6-9H2,1-2,4-5H3
InChIKeyCBPMWDHTHXOEMV-UHFFFAOYSA-N
XLogP1.04
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[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-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
hexane-1,6-diol;[2-hydroxy-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl] 2-methylprop-2-enoate
CID 87523431
[3,3-dibromo-2-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]methyl]propyl] 2-methylprop-2-enoate
CID 88638317
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152
[2-hydroxy-3-[3-(1-hydroxy-3-methyl-2-oxobut-3-enoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 122548998
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
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
1-(2-methylpropoxy)ethyl 2-hydroxyprop-2-enoate
CID 139758842
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate (CID 20659309) is [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCC(=O)OC(C)OCC(C)C.
What is the InChIKey of [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is CBPMWDHTHXOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7/c1-10(2)6-20-12(5)22-14(17)9-19-7-13(16)8-21-15(18)11(3)4/h10,12-13,16H,3,6-9H2,1-2,4-5H3.
What are the key properties of [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 318.37 g/mol, XLogP of 1.04, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).