bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate

C17H20O6 — CID 88641732

IUPACbis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate
SMILESC=C(C)C(=O)OC(=O)C(=C)C(C)C=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C17H20O6/c1-9(2)14(18)22-16(20)12(6)8-11(5)13(7)17(21)23-15(19)10(3)4/h8,11H,1,3,7H2,2,4-6H3
InChIKeyAGMDAQKSPSBNOW-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.42
Rot. Bonds6

About bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate

bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate (PubChem CID 88641732) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate
PubChem CID88641732
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Namebis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate
SMILESC=C(C)C(=O)OC(=O)C(=C)C(C)C=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C17H20O6/c1-9(2)14(18)22-16(20)12(6)8-11(5)13(7)17(21)23-15(19)10(3)4/h8,11H,1,3,7H2,2,4-6H3
InChIKeyAGMDAQKSPSBNOW-UHFFFAOYSA-N
XLogP2.42
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoyl 2,4-dimethylhex-2-enoate
CID 174410729
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate
CID 174767128
2,5-dimethylhex-3-en-3-yl 2-methylprop-2-enoate
CID 91265593
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
4-aminopent-3-en-2-yl 2-methylprop-2-enoate
CID 173363943
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
CID 174764747
2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
CID 174390387

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate?
The IUPAC name of bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate (CID 88641732) is bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate.
What is the SMILES notation for bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate?
The canonical SMILES for bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate is C=C(C)C(=O)OC(=O)C(=C)C(C)C=C(C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate?
The InChIKey is AGMDAQKSPSBNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-9(2)14(18)22-16(20)12(6)8-11(5)13(7)17(21)23-15(19)10(3)4/h8,11H,1,3,7H2,2,4-6H3.
What are the key properties of bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate?
bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate has a molecular weight of 320.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate is sourced from PubChem (CID 88641732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).