bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate

C15H18O6 — CID 90935294

IUPACbis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate
SMILESC=C(C)C(=O)OC(=O)C=C(CCC)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C15H18O6/c1-6-7-11(15(19)21-14(18)10(4)5)8-12(16)20-13(17)9(2)3/h8H,2,4,6-7H2,1,3,5H3
InChIKeyBTHVPDLZWLUPNT-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.00
Rot. Bonds6

About bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate

bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate (PubChem CID 90935294) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate
PubChem CID90935294
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namebis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate
SMILESC=C(C)C(=O)OC(=O)C=C(CCC)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C15H18O6/c1-6-7-11(15(19)21-14(18)10(4)5)8-12(16)20-13(17)9(2)3/h8H,2,4,6-7H2,1,3,5H3
InChIKeyBTHVPDLZWLUPNT-UHFFFAOYSA-N
XLogP2.00
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.00
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

butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
2-methylprop-2-enoyl butanoate
CID 19018301
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylprop-2-enoyl pentanoate;zinc
CID 174879847
2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
CID 91478998
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
2-methylprop-2-enoyl dodecanoate;zinc
CID 175007259
2-methylprop-2-enoyl decanoate;zinc
CID 174880295

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate?
The IUPAC name of bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate (CID 90935294) is bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate.
What is the SMILES notation for bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate?
The canonical SMILES for bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate is C=C(C)C(=O)OC(=O)C=C(CCC)C(=O)OC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate?
The InChIKey is BTHVPDLZWLUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-6-7-11(15(19)21-14(18)10(4)5)8-12(16)20-13(17)9(2)3/h8H,2,4,6-7H2,1,3,5H3.
What are the key properties of bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate?
bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate has a molecular weight of 294.30 g/mol, XLogP of 2.00, 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-propylbut-2-enedioate is sourced from PubChem (CID 90935294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).