2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate

C13H14O5 — CID 87191517

IUPAC2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)OC(=O)OC(=O)C(=C)CC=C
InChIInChI=1S/C13H14O5/c1-5-7-9(3)11(14)17-13(16)18-12(15)10(4)8-6-2/h5-6H,1-4,7-8H2
InChIKeyXWIHGRLONMZBRC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.46
Rot. Bonds6

About 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate

2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate (PubChem CID 87191517) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate.

Molecular Properties

Compound Name2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate
PubChem CID87191517
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)OC(=O)OC(=O)C(=C)CC=C
InChIInChI=1S/C13H14O5/c1-5-7-9(3)11(14)17-13(16)18-12(15)10(4)8-6-2/h5-6H,1-4,7-8H2
InChIKeyXWIHGRLONMZBRC-UHFFFAOYSA-N
XLogP2.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate?
The IUPAC name of 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate (CID 87191517) is 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate.
What is the SMILES notation for 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate?
The canonical SMILES for 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate is C=CCC(=C)C(=O)OC(=O)OC(=O)C(=C)CC=C.
What is the InChIKey of 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate?
The InChIKey is XWIHGRLONMZBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-5-7-9(3)11(14)17-13(16)18-12(15)10(4)8-6-2/h5-6H,1-4,7-8H2.
What are the key properties of 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate?
2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate has a molecular weight of 250.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepent-4-enoyloxycarbonyl 2-methylidenepent-4-enoate is sourced from PubChem (CID 87191517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).