dimethyl 5-ethenoxybenzene-1,3-dicarboxylate

C12H12O5 — CID 130409792

IUPACdimethyl 5-ethenoxybenzene-1,3-dicarboxylate
SMILESC=COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C12H12O5/c1-4-17-10-6-8(11(13)15-2)5-9(7-10)12(14)16-3/h4-7H,1H2,2-3H3
InChIKeyDVXOBTJYGMKNNE-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.78
Rot. Bonds4

About dimethyl 5-ethenoxybenzene-1,3-dicarboxylate

dimethyl 5-ethenoxybenzene-1,3-dicarboxylate (PubChem CID 130409792) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is dimethyl 5-ethenoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-ethenoxybenzene-1,3-dicarboxylate
PubChem CID130409792
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Namedimethyl 5-ethenoxybenzene-1,3-dicarboxylate
SMILESC=COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C12H12O5/c1-4-17-10-6-8(11(13)15-2)5-9(7-10)12(14)16-3/h4-7H,1H2,2-3H3
InChIKeyDVXOBTJYGMKNNE-UHFFFAOYSA-N
XLogP1.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-formyloxy-5-methylbenzoate
CID 170179005
methyl 4-bromo-3,5-bis(ethenoxy)benzoate
CID 66644924
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
methyl 3,5-diacetyloxybenzoate
CID 7474700
CID 59716384
CID 59716384
dimethyl 5-(4-amino-2,6-dibromophenoxy)benzene-1,3-dicarboxylate
CID 21252421
dimethyl 5-[(E)-4-oxo-4-phenoxybut-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 130409788
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
dimethyl 5-(cyanomethoxy)benzene-1,3-dicarboxylate
CID 8536461
methyl 3,5-bis(prop-2-ynoxy)benzoate
CID 3566176
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-ethenoxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-ethenoxybenzene-1,3-dicarboxylate (CID 130409792) is dimethyl 5-ethenoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-ethenoxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-ethenoxybenzene-1,3-dicarboxylate is C=COc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-ethenoxybenzene-1,3-dicarboxylate?
The InChIKey is DVXOBTJYGMKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5/c1-4-17-10-6-8(11(13)15-2)5-9(7-10)12(14)16-3/h4-7H,1H2,2-3H3.
What are the key properties of dimethyl 5-ethenoxybenzene-1,3-dicarboxylate?
dimethyl 5-ethenoxybenzene-1,3-dicarboxylate has a molecular weight of 236.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-ethenoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 130409792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).