methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)

C17H26O6 — CID 88747541

IUPACmethyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CCC(=C)C(=O)OC
InChIInChI=1S/C7H10O2.2C5H8O2/c1-4-5-6(2)7(8)9-3;2*1-4(2)5(6)7-3/h4H,1-2,5H2,3H3;2*1H2,2-3H3
InChIKeyJKGRYPRIIAAWRR-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)

methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) (PubChem CID 88747541) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate).

Molecular Properties

Compound Namemethyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)
PubChem CID88747541
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Namemethyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CCC(=C)C(=O)OC
InChIInChI=1S/C7H10O2.2C5H8O2/c1-4-5-6(2)7(8)9-3;2*1-4(2)5(6)7-3/h4H,1-2,5H2,3H3;2*1H2,2-3H3
InChIKeyJKGRYPRIIAAWRR-UHFFFAOYSA-N
XLogP2.76
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)?
The IUPAC name of methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) (CID 88747541) is methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate).
What is the SMILES notation for methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)?
The canonical SMILES for methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CCC(=C)C(=O)OC.
What is the InChIKey of methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)?
The InChIKey is JKGRYPRIIAAWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.2C5H8O2/c1-4-5-6(2)7(8)9-3;2*1-4(2)5(6)7-3/h4H,1-2,5H2,3H3;2*1H2,2-3H3.
What are the key properties of methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate)?
methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) has a molecular weight of 326.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidenepent-4-enoate;bis(methyl 2-methylprop-2-enoate) is sourced from PubChem (CID 88747541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).