bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate

C18H22O6 — CID 69119506

IUPACbis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
SMILESC=COCC(C)OC(=O)c1ccccc1C(=O)OC(C)COC=C
InChIInChI=1S/C18H22O6/c1-5-21-11-13(3)23-17(19)15-9-7-8-10-16(15)18(20)24-14(4)12-22-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyIBLDPSDFLVBLFK-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.10
Rot. Bonds10

About bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate

bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate (PubChem CID 69119506) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
PubChem CID69119506
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Namebis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
SMILESC=COCC(C)OC(=O)c1ccccc1C(=O)OC(C)COC=C
InChIInChI=1S/C18H22O6/c1-5-21-11-13(3)23-17(19)15-9-7-8-10-16(15)18(20)24-14(4)12-22-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyIBLDPSDFLVBLFK-UHFFFAOYSA-N
XLogP3.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[(2R,4R)-4-prop-2-enoxypentan-2-yl] benzene-1,2-dicarboxylate
CID 102042816
2-(2-prop-2-enoyloxypropoxycarbonyl)benzoic acid
CID 21421368
trimethyl-[2-[2-[1-(trimethylazaniumyl)propan-2-yloxycarbonyl]benzoyl]oxypropyl]azanium diiodide
CID 24833497
2-O-butan-2-yl 1-O-(2-prop-2-enoyloxyethyl) benzene-1,2-dicarboxylate
CID 23517831
1-ethenoxypropan-2-yloxybenzene
CID 19808106
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
2-(1-hydroxypropan-2-yloxycarbonyl)benzoate
CID 18629865
1-ethoxypropan-2-yl 2-sulfanylbenzoate
CID 107019199
bis(1-ethenoxybutyl) benzene-1,2-dicarboxylate
CID 175289007
2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
CID 23024578
1-O-methyl 2-O-pentan-2-yl benzene-1,2-dicarboxylate
CID 6424485
2-[1-(5-carboxypentanoyloxy)propan-2-yloxycarbonyl]benzoic acid
CID 90996864

Frequently Asked Questions

What is the IUPAC name of bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate (CID 69119506) is bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate is C=COCC(C)OC(=O)c1ccccc1C(=O)OC(C)COC=C.
What is the InChIKey of bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate?
The InChIKey is IBLDPSDFLVBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-5-21-11-13(3)23-17(19)15-9-7-8-10-16(15)18(20)24-14(4)12-22-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3.
What are the key properties of bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate?
bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate has a molecular weight of 334.37 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 69119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).