2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate

C34H32O12 — CID 70001163

IUPAC2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(COC(=O)/C=C/c1ccco1)OC(=O)/C=C/c1ccco1.O=C(/C=C/c1ccco1)OCCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/2C17H16O6/c1-13(23-17(19)9-7-15-5-3-11-21-15)12-22-16(18)8-6-14-4-2-10-20-14;18-16(8-6-14-4-1-10-20-14)22-12-3-13-23-17(19)9-7-15-5-2-11-21-15/h2-11,13H,12H2,1H3;1-2,4-11H,3,12-13H2/b2*8-6+,9-7+
InChIKeySAZWOPZUAUNCGD-VTNWEUQQSA-N
MW632.62 g/mol
LogP6.15
Rot. Bonds15

About 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate

2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 70001163) has the molecular formula C34H32O12 and a molecular weight of 632.62 g/mol. Its IUPAC name is 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID70001163
Molecular FormulaC34H32O12
Molecular Weight632.62 g/mol
Exact Mass632.19
IUPAC Name2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(COC(=O)/C=C/c1ccco1)OC(=O)/C=C/c1ccco1.O=C(/C=C/c1ccco1)OCCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/2C17H16O6/c1-13(23-17(19)9-7-15-5-3-11-21-15)12-22-16(18)8-6-14-4-2-10-20-14;18-16(8-6-14-4-1-10-20-14)22-12-3-13-23-17(19)9-7-15-5-2-11-21-15/h2-11,13H,12H2,1H3;1-2,4-11H,3,12-13H2/b2*8-6+,9-7+
InChIKeySAZWOPZUAUNCGD-VTNWEUQQSA-N
XLogP6.15
TPSA157.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate with MolForge

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Related Compounds

butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate
CID 82532597
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7696873
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
CID 2423576

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate (CID 70001163) is 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate is CC(COC(=O)/C=C/c1ccco1)OC(=O)/C=C/c1ccco1.O=C(/C=C/c1ccco1)OCCCOC(=O)/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is SAZWOPZUAUNCGD-VTNWEUQQSA-N. The full InChI is InChI=1S/2C17H16O6/c1-13(23-17(19)9-7-15-5-3-11-21-15)12-22-16(18)8-6-14-4-2-10-20-14;18-16(8-6-14-4-1-10-20-14)22-12-3-13-23-17(19)9-7-15-5-2-11-21-15/h2-11,13H,12H2,1H3;1-2,4-11H,3,12-13H2/b2*8-6+,9-7+.
What are the key properties of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate?
2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 632.62 g/mol, XLogP of 6.15, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 70001163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).