1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate

C14H14O7 — CID 56639526

IUPAC1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate
SMILESC=CC=C(OC=O)OC(=C)OC(=O)C(C)=COC(=O)C=C
InChIInChI=1S/C14H14O7/c1-5-7-13(19-9-15)20-11(4)21-14(17)10(3)8-18-12(16)6-2/h5-9H,1-2,4H2,3H3
InChIKeyTYKOUYOLRLIMTA-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.85
Rot. Bonds9

About 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate

1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate (PubChem CID 56639526) has the molecular formula C14H14O7 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate.

Molecular Properties

Compound Name1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate
PubChem CID56639526
Molecular FormulaC14H14O7
Molecular Weight294.26 g/mol
Exact Mass294.07
IUPAC Name1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate
SMILESC=CC=C(OC=O)OC(=C)OC(=O)C(C)=COC(=O)C=C
InChIInChI=1S/C14H14O7/c1-5-7-13(19-9-15)20-11(4)21-14(17)10(3)8-18-12(16)6-2/h5-9H,1-2,4H2,3H3
InChIKeyTYKOUYOLRLIMTA-UHFFFAOYSA-N
XLogP1.85
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate?
The IUPAC name of 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate (CID 56639526) is 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate.
What is the SMILES notation for 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate?
The canonical SMILES for 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate is C=CC=C(OC=O)OC(=C)OC(=O)C(C)=COC(=O)C=C.
What is the InChIKey of 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate?
The InChIKey is TYKOUYOLRLIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O7/c1-5-7-13(19-9-15)20-11(4)21-14(17)10(3)8-18-12(16)6-2/h5-9H,1-2,4H2,3H3.
What are the key properties of 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate?
1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate has a molecular weight of 294.26 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-formyloxybuta-1,3-dienoxy)ethenyl 2-methyl-3-prop-2-enoyloxyprop-2-enoate is sourced from PubChem (CID 56639526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).