ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

C13H22O7 — CID 87169157

IUPACethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)OC(=O)C(=C)C.OCCO
InChIInChI=1S/C11H16O5.C2H6O2/c1-7(2)10(12)15-6-9(14-5)16-11(13)8(3)4;3-1-2-4/h9H,1,3,6H2,2,4-5H3;3-4H,1-2H2
InChIKeyDTGCSEQHTLACAV-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.17
Rot. Bonds7

About ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 87169157) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
PubChem CID87169157
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Nameethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)OC(=O)C(=C)C.OCCO
InChIInChI=1S/C11H16O5.C2H6O2/c1-7(2)10(12)15-6-9(14-5)16-11(13)8(3)4;3-1-2-4/h9H,1,3,6H2,2,4-5H3;3-4H,1-2H2
InChIKeyDTGCSEQHTLACAV-UHFFFAOYSA-N
XLogP0.17
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
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

ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
1-methoxypentyl 2-methylprop-2-enoate
CID 140764289
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3,3-trimethoxypropyl 2-methylprop-2-enoate
CID 123499997
2,2-bis(hydroxymethyl)propane-1,3-diol;[(2R,3S)-2,3,4-tris(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 88603957
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
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
1-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (CID 87169157) is ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OC)OC(=O)C(=C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is DTGCSEQHTLACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5.C2H6O2/c1-7(2)10(12)15-6-9(14-5)16-11(13)8(3)4;3-1-2-4/h9H,1,3,6H2,2,4-5H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 290.31 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87169157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).