4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate

C13H16O4 — CID 122548997

IUPAC4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate
SMILESC=C(CC(=C)OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O4/c1-8(2)12(14)16-10(5)7-11(6)17-13(15)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyGBXVKVBYJPODGZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.64
Rot. Bonds6

About 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate

4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate (PubChem CID 122548997) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate
PubChem CID122548997
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate
SMILESC=C(CC(=C)OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O4/c1-8(2)12(14)16-10(5)7-11(6)17-13(15)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyGBXVKVBYJPODGZ-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate (CID 122548997) is 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate is C=C(CC(=C)OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate?
The InChIKey is GBXVKVBYJPODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8(2)12(14)16-10(5)7-11(6)17-13(15)9(3)4/h1,3,5-7H2,2,4H3.
What are the key properties of 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate?
4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoyloxy)penta-1,4-dien-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 122548997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).